1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine

C15H20N4 — CID 106575517

IUPAC1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(Nc3ncc[nH]3)C2)cc1
InChIInChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-10-4-7-14(12-19)18-15-16-8-9-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,16,17,18)
InChIKeyCREQEOSMZMSZLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.49
Rot. Bonds4

About 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine

1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine (PubChem CID 106575517) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
PubChem CID106575517
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(Nc3ncc[nH]3)C2)cc1
InChIInChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-10-4-7-14(12-19)18-15-16-8-9-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,16,17,18)
InChIKeyCREQEOSMZMSZLS-UHFFFAOYSA-N
XLogP2.49
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
4-[[(3S)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595466
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
CID 63719013
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine (CID 106575517) is 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine is c1ccc(CN2CCCC(Nc3ncc[nH]3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine?
The InChIKey is CREQEOSMZMSZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-10-4-7-14(12-19)18-15-16-8-9-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H2,16,17,18).
What are the key properties of 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine?
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine is sourced from PubChem (CID 106575517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).