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

C18H28N2O — CID 97169769

IUPAC(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@@H](NC1CC1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2O/c21-13-11-17(19-16-9-10-16)18-8-4-5-12-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,21H,4-5,8-14H2/t17-,18-/m1/s1
InChIKeyYSMUWALXYCLLEY-QZTJIDSGSA-N
MW288.43 g/mol
LogP2.54
Rot. Bonds7

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

(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol (PubChem CID 97169769) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
PubChem CID97169769
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@@H](NC1CC1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2O/c21-13-11-17(19-16-9-10-16)18-8-4-5-12-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,21H,4-5,8-14H2/t17-,18-/m1/s1
InChIKeyYSMUWALXYCLLEY-QZTJIDSGSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
CID 97177449
(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169776
(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
[(2R)-1-benzylpiperidin-2-yl]-hydroxymethanesulfonic acid;tungsten
CID 59075959
2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
CID 82378997
2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
CID 10044290
(3R)-3-[(2R)-1-benzylazetidin-2-yl]-3-phenylsulfanylpropan-1-ol
CID 132517220
(1S)-1-[(2S)-1-benzylpyrrolidin-2-yl]-2-phenylethanethiol
CID 101430325

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol?
The IUPAC name of (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol (CID 97169769) is (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol is OCC[C@@H](NC1CC1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol?
The InChIKey is YSMUWALXYCLLEY-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H28N2O/c21-13-11-17(19-16-9-10-16)18-8-4-5-12-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,21H,4-5,8-14H2/t17-,18-/m1/s1.
What are the key properties of (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol?
(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 97169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).