(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine

C15H24N2 — CID 129366524

IUPAC(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
SMILESC[C@H](CCN1CCC[C@H](N)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-6-3-2-4-7-14)9-11-17-10-5-8-15(16)12-17/h2-4,6-7,13,15H,5,8-12,16H2,1H3/t13-,15+/m1/s1
InChIKeyYVBVPFSEEJCNRW-HIFRSBDPSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds4

About (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine

(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine (PubChem CID 129366524) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
PubChem CID129366524
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
SMILESC[C@H](CCN1CCC[C@H](N)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-6-3-2-4-7-14)9-11-17-10-5-8-15(16)12-17/h2-4,6-7,13,15H,5,8-12,16H2,1H3/t13-,15+/m1/s1
InChIKeyYVBVPFSEEJCNRW-HIFRSBDPSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
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1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
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4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
3-methyl-1-(3-phenylbutyl)-1,5-diazocane
CID 62987533
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
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1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine (CID 129366524) is (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine is C[C@H](CCN1CCC[C@H](N)C1)c1ccccc1.
What is the InChIKey of (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine?
The InChIKey is YVBVPFSEEJCNRW-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-6-3-2-4-7-14)9-11-17-10-5-8-15(16)12-17/h2-4,6-7,13,15H,5,8-12,16H2,1H3/t13-,15+/m1/s1.
What are the key properties of (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine?
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine is sourced from PubChem (CID 129366524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).