2-(4-benzylpiperidin-1-yl)pentan-3-amine

C17H28N2 — CID 43346352

IUPAC2-(4-benzylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-17(18)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyWKKLMPRLRUESCN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)pentan-3-amine

2-(4-benzylpiperidin-1-yl)pentan-3-amine (PubChem CID 43346352) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)pentan-3-amine
PubChem CID43346352
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(4-benzylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-17(18)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyWKKLMPRLRUESCN-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol
CID 114356541
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103495147
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)pentan-3-amine (CID 43346352) is 2-(4-benzylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)pentan-3-amine is CCC(N)C(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)pentan-3-amine?
The InChIKey is WKKLMPRLRUESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-17(18)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13,18H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)pentan-3-amine?
2-(4-benzylpiperidin-1-yl)pentan-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 43346352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).