1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide

C151H305N29O4S — CID 159136732

IUPAC1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCN(CC3CC3)CC2)CC1.CC(C)(C)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.CC(C)(C)N1CCN(C2CCNCC2)CC1.CC(C)NC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCNC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CN1CCCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O.C17H33N3.C16H32N4O.C16H32N2.C15H31N3.C15H30N2.C14H29N3O2S.C14H29N3.C14H28N2.C13H27N3/c1-14(2)18-16(22)20-12-10-19(11-13-20)15-6-8-21(9-7-15)17(3,4)5;1-17(2,3)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-5-15;1-5-17-15(21)19-12-10-18(11-13-19)14-6-8-20(9-7-14)16(2,3)4;1-16(2,3)18-12-8-15(9-13-18)14-6-5-10-17(4)11-7-14;1-5-16-10-12-17(13-11-16)14-6-8-18(9-7-14)15(2,3)4;1-15(2,3)13-5-11-17(12-6-13)14-7-9-16(4)10-8-14;1-14(2,3)16-7-5-13(6-8-16)15-9-11-17(12-10-15)20(4,18)19;1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12/h14-15H,6-13H2,1-5H3,(H,18,22);15-16H,4-14H2,1-3H3;14H,5-13H2,1-4H3,(H,17,21);14-15H,5-13H2,1-4H3;14H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3
InChIKeyKHOXBHUVIKBULL-UHFFFAOYSA-N
MW2623.37 g/mol
LogP20.03
Rot. Bonds16

About 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide

1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 159136732) has the molecular formula C151H305N29O4S and a molecular weight of 2623.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID159136732
Molecular FormulaC151H305N29O4S
Molecular Weight2623.37 g/mol
Exact Mass2621.43
IUPAC Name1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCN(CC3CC3)CC2)CC1.CC(C)(C)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.CC(C)(C)N1CCN(C2CCNCC2)CC1.CC(C)NC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCNC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CN1CCCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O.C17H33N3.C16H32N4O.C16H32N2.C15H31N3.C15H30N2.C14H29N3O2S.C14H29N3.C14H28N2.C13H27N3/c1-14(2)18-16(22)20-12-10-19(11-13-20)15-6-8-21(9-7-15)17(3,4)5;1-17(2,3)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-5-15;1-5-17-15(21)19-12-10-18(11-13-19)14-6-8-20(9-7-14)16(2,3)4;1-16(2,3)18-12-8-15(9-13-18)14-6-5-10-17(4)11-7-14;1-5-16-10-12-17(13-11-16)14-6-8-18(9-7-14)15(2,3)4;1-15(2,3)13-5-11-17(12-6-13)14-7-9-16(4)10-8-14;1-14(2,3)16-7-5-13(6-8-16)15-9-11-17(12-10-15)20(4,18)19;1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12/h14-15H,6-13H2,1-5H3,(H,18,22);15-16H,4-14H2,1-3H3;14H,5-13H2,1-4H3,(H,17,21);14-15H,5-13H2,1-4H3;14H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3
InChIKeyKHOXBHUVIKBULL-UHFFFAOYSA-N
XLogP20.03
TPSA188.61 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.37
LogP ≤ 520.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide (CID 159136732) is 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCN(CC3CC3)CC2)CC1.CC(C)(C)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.CC(C)(C)N1CCN(C2CCNCC2)CC1.CC(C)NC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCNC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CN1CCCC(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is KHOXBHUVIKBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.C17H33N3.C16H32N4O.C16H32N2.C15H31N3.C15H30N2.C14H29N3O2S.C14H29N3.C14H28N2.C13H27N3/c1-14(2)18-16(22)20-12-10-19(11-13-20)15-6-8-21(9-7-15)17(3,4)5;1-17(2,3)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-5-15;1-5-17-15(21)19-12-10-18(11-13-19)14-6-8-20(9-7-14)16(2,3)4;1-16(2,3)18-12-8-15(9-13-18)14-6-5-10-17(4)11-7-14;1-5-16-10-12-17(13-11-16)14-6-8-18(9-7-14)15(2,3)4;1-15(2,3)13-5-11-17(12-6-13)14-7-9-16(4)10-8-14;1-14(2,3)16-7-5-13(6-8-16)15-9-11-17(12-10-15)20(4,18)19;1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12/h14-15H,6-13H2,1-5H3,(H,18,22);15-16H,4-14H2,1-3H3;14H,5-13H2,1-4H3,(H,17,21);14-15H,5-13H2,1-4H3;14H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide?
1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 2623.37 g/mol, XLogP of 20.03, 16 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-ethylpiperazine-1-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 159136732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).