1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine

C128H258N20 — CID 157339461

IUPAC1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)(C)N1CCC(CCN2CCCC2)CC1.CC(C)(C)N1CCC(CCN2CCCCC2)C1.CC(C)(C)N1CCC(CCN2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCC2)C1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCN(CCC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H33N3.C16H32N2.2C15H30N2.C14H29N3.C14H28N2.2C13H26N2.C12H24N2/c1-16(2,3)19-9-6-15(7-10-19)5-8-18-13-11-17(4)12-14-18;1-16(2,3)18-13-8-15(9-14-18)7-12-17-10-5-4-6-11-17;1-15(2,3)17-12-7-14(8-13-17)6-11-16-9-4-5-10-16;1-15(2,3)17-12-8-14(13-17)7-11-16-9-5-4-6-10-16;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-13(2,3)15-10-7-12(11-15)14-8-5-4-6-9-14;1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h15H,5-14H2,1-4H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyBGFOAGZHHVSAPA-UHFFFAOYSA-N
MW2077.61 g/mol
LogP22.35
Rot. Bonds17

About 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine

1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 157339461) has the molecular formula C128H258N20 and a molecular weight of 2077.61 g/mol. Its IUPAC name is 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID157339461
Molecular FormulaC128H258N20
Molecular Weight2077.61 g/mol
Exact Mass2076.08
IUPAC Name1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)(C)N1CCC(CCN2CCCC2)CC1.CC(C)(C)N1CCC(CCN2CCCCC2)C1.CC(C)(C)N1CCC(CCN2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCC2)C1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCN(CCC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H33N3.C16H32N2.2C15H30N2.C14H29N3.C14H28N2.2C13H26N2.C12H24N2/c1-16(2,3)19-9-6-15(7-10-19)5-8-18-13-11-17(4)12-14-18;1-16(2,3)18-13-8-15(9-14-18)7-12-17-10-5-4-6-11-17;1-15(2,3)17-12-7-14(8-13-17)6-11-16-9-4-5-10-16;1-15(2,3)17-12-8-14(13-17)7-11-16-9-5-4-6-10-16;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-13(2,3)15-10-7-12(11-15)14-8-5-4-6-9-14;1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h15H,5-14H2,1-4H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyBGFOAGZHHVSAPA-UHFFFAOYSA-N
XLogP22.35
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.61
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine (CID 157339461) is 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine is CC(C)(C)N1CCC(CCN2CCCC2)CC1.CC(C)(C)N1CCC(CCN2CCCCC2)C1.CC(C)(C)N1CCC(CCN2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCC2)C1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)C1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCN(CCC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is BGFOAGZHHVSAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.C16H32N2.2C15H30N2.C14H29N3.C14H28N2.2C13H26N2.C12H24N2/c1-16(2,3)19-9-6-15(7-10-19)5-8-18-13-11-17(4)12-14-18;1-16(2,3)18-13-8-15(9-14-18)7-12-17-10-5-4-6-11-17;1-15(2,3)17-12-7-14(8-13-17)6-11-16-9-4-5-10-16;1-15(2,3)17-12-8-14(13-17)7-11-16-9-5-4-6-10-16;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-13(2,3)15-10-7-12(11-15)14-8-5-4-6-9-14;1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h15H,5-14H2,1-4H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3.
What are the key properties of 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 2077.61 g/mol, XLogP of 22.35, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 157339461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).