1-benzyl-3-(furan-2-yl)piperidin-3-amine

C16H20N2O — CID 83693426

IUPAC1-benzyl-3-(furan-2-yl)piperidin-3-amine
SMILESNC1(c2ccco2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O/c17-16(15-8-4-11-19-15)9-5-10-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,11H,5,9-10,12-13,17H2
InChIKeyFIDMPJDDIUZDCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds3

About 1-benzyl-3-(furan-2-yl)piperidin-3-amine

1-benzyl-3-(furan-2-yl)piperidin-3-amine (PubChem CID 83693426) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-benzyl-3-(furan-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-(furan-2-yl)piperidin-3-amine
PubChem CID83693426
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-benzyl-3-(furan-2-yl)piperidin-3-amine
SMILESNC1(c2ccco2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O/c17-16(15-8-4-11-19-15)9-5-10-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,11H,5,9-10,12-13,17H2
InChIKeyFIDMPJDDIUZDCP-UHFFFAOYSA-N
XLogP2.73
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
ethyl 4-(3-amino-1-benzylpiperidin-3-yl)benzoate
CID 130407925

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(furan-2-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-3-(furan-2-yl)piperidin-3-amine (CID 83693426) is 1-benzyl-3-(furan-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-3-(furan-2-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-3-(furan-2-yl)piperidin-3-amine is NC1(c2ccco2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(furan-2-yl)piperidin-3-amine?
The InChIKey is FIDMPJDDIUZDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16(15-8-4-11-19-15)9-5-10-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,11H,5,9-10,12-13,17H2.
What are the key properties of 1-benzyl-3-(furan-2-yl)piperidin-3-amine?
1-benzyl-3-(furan-2-yl)piperidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(furan-2-yl)piperidin-3-amine is sourced from PubChem (CID 83693426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).