(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol

C15H24N2O — CID 51697425

IUPAC(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-8-5-9-17(11-15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyWIZHUUSXTOOWCZ-HIFRSBDPSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol

(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol (PubChem CID 51697425) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
PubChem CID51697425
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-8-5-9-17(11-15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyWIZHUUSXTOOWCZ-HIFRSBDPSA-N
XLogP1.62
TPSA35.50 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol (CID 51697425) is (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol is C[C@H](CO)N[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol?
The InChIKey is WIZHUUSXTOOWCZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-18)16-15-8-5-9-17(11-15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol?
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 51697425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).