1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine

C23H46N4 — CID 135280772

IUPAC1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine
SMILESCC(C)N1CCC(N2CCCC2)C(C2CC(N(C)C)CCN2C(C)(C)C)C1
InChIInChI=1S/C23H46N4/c1-18(2)26-14-11-21(25-12-8-9-13-25)20(17-26)22-16-19(24(6)7)10-15-27(22)23(3,4)5/h18-22H,8-17H2,1-7H3
InChIKeyHLWXRWCQJDHSDN-UHFFFAOYSA-N
MW378.65 g/mol
LogP3.37
Rot. Bonds4

About 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine

1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine (PubChem CID 135280772) has the molecular formula C23H46N4 and a molecular weight of 378.65 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine
PubChem CID135280772
Molecular FormulaC23H46N4
Molecular Weight378.65 g/mol
Exact Mass378.37
IUPAC Name1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine
SMILESCC(C)N1CCC(N2CCCC2)C(C2CC(N(C)C)CCN2C(C)(C)C)C1
InChIInChI=1S/C23H46N4/c1-18(2)26-14-11-21(25-12-8-9-13-25)20(17-26)22-16-19(24(6)7)10-15-27(22)23(3,4)5/h18-22H,8-17H2,1-7H3
InChIKeyHLWXRWCQJDHSDN-UHFFFAOYSA-N
XLogP3.37
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine (CID 135280772) is 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine is CC(C)N1CCC(N2CCCC2)C(C2CC(N(C)C)CCN2C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine?
The InChIKey is HLWXRWCQJDHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4/c1-18(2)26-14-11-21(25-12-8-9-13-25)20(17-26)22-16-19(24(6)7)10-15-27(22)23(3,4)5/h18-22H,8-17H2,1-7H3.
What are the key properties of 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine?
1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine has a molecular weight of 378.65 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethyl-2-(1-propan-2-yl-4-pyrrolidin-1-ylpiperidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 135280772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).