(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol

C15H24N2O — CID 97168737

IUPAC(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
SMILESN[C@H](CCO)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c16-15(8-10-18)14-7-4-9-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2/t14-,15+/m0/s1
InChIKeyPYWOWVDBIHYQJK-LSDHHAIUSA-N
MW248.37 g/mol
LogP1.61
Rot. Bonds5

About (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol

(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol (PubChem CID 97168737) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
PubChem CID97168737
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
SMILESN[C@H](CCO)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c16-15(8-10-18)14-7-4-9-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2/t14-,15+/m0/s1
InChIKeyPYWOWVDBIHYQJK-LSDHHAIUSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169776
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
CID 71649005
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982699
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol?
The IUPAC name of (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol (CID 97168737) is (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol is N[C@H](CCO)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol?
The InChIKey is PYWOWVDBIHYQJK-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24N2O/c16-15(8-10-18)14-7-4-9-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12,16H2/t14-,15+/m0/s1.
What are the key properties of (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol?
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 97168737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).