2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine

C19H34N4 — CID 131938801

IUPAC2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCC2CCN(C3CCCC3)CC2)n(C)c1C
InChIInChI=1S/C19H34N4/c1-15-16(2)22(3)19(21-15)14-20-11-8-17-9-12-23(13-10-17)18-6-4-5-7-18/h17-18,20H,4-14H2,1-3H3
InChIKeyOJYKMJQJXWTNHW-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.17
Rot. Bonds6

About 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine

2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine (PubChem CID 131938801) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
PubChem CID131938801
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCC2CCN(C3CCCC3)CC2)n(C)c1C
InChIInChI=1S/C19H34N4/c1-15-16(2)22(3)19(21-15)14-20-11-8-17-9-12-23(13-10-17)18-6-4-5-7-18/h17-18,20H,4-14H2,1-3H3
InChIKeyOJYKMJQJXWTNHW-UHFFFAOYSA-N
XLogP3.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine (CID 131938801) is 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine is Cc1nc(CNCCC2CCN(C3CCCC3)CC2)n(C)c1C.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is OJYKMJQJXWTNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-15-16(2)22(3)19(21-15)14-20-11-8-17-9-12-23(13-10-17)18-6-4-5-7-18/h17-18,20H,4-14H2,1-3H3.
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 318.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 131938801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).