4-(1-benzylpiperidin-2-yl)butan-2-amine

C16H26N2 — CID 83982307

IUPAC4-(1-benzylpiperidin-2-yl)butan-2-amine
SMILESCC(N)CCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(17)10-11-16-9-5-6-12-18(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyHNDFUBKHXCLLQF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds5

About 4-(1-benzylpiperidin-2-yl)butan-2-amine

4-(1-benzylpiperidin-2-yl)butan-2-amine (PubChem CID 83982307) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-benzylpiperidin-2-yl)butan-2-amine
PubChem CID83982307
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(1-benzylpiperidin-2-yl)butan-2-amine
SMILESCC(N)CCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(17)10-11-16-9-5-6-12-18(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3
InChIKeyHNDFUBKHXCLLQF-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-2-yl)butan-2-amine?
The IUPAC name of 4-(1-benzylpiperidin-2-yl)butan-2-amine (CID 83982307) is 4-(1-benzylpiperidin-2-yl)butan-2-amine.
What is the SMILES notation for 4-(1-benzylpiperidin-2-yl)butan-2-amine?
The canonical SMILES for 4-(1-benzylpiperidin-2-yl)butan-2-amine is CC(N)CCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 4-(1-benzylpiperidin-2-yl)butan-2-amine?
The InChIKey is HNDFUBKHXCLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(17)10-11-16-9-5-6-12-18(16)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,17H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-2-yl)butan-2-amine?
4-(1-benzylpiperidin-2-yl)butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-2-yl)butan-2-amine is sourced from PubChem (CID 83982307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).