1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

C59H122N10O — CID 161321780

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCOCC2)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C13H26N2.C10H21N.C9H20N2/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-13(2,3)15-6-4-12(5-7-15)14-8-10-16-11-9-14;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyVKFWFBUWTUYSJO-UHFFFAOYSA-N
MW987.69 g/mol
LogP8.83
Rot. Bonds3

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 161321780) has the molecular formula C59H122N10O and a molecular weight of 987.69 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
PubChem CID161321780
Molecular FormulaC59H122N10O
Molecular Weight987.69 g/mol
Exact Mass986.98
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCOCC2)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.C13H26N2O.C13H26N2.C10H21N.C9H20N2/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-13(2,3)15-6-4-12(5-7-15)14-8-10-16-11-9-14;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyVKFWFBUWTUYSJO-UHFFFAOYSA-N
XLogP8.83
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500987.69
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (CID 161321780) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCOCC2)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is VKFWFBUWTUYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C13H26N2O.C13H26N2.C10H21N.C9H20N2/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-13(2,3)15-6-4-12(5-7-15)14-8-10-16-11-9-14;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 987.69 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 161321780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).