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

C18H28N2O — CID 97169776

IUPAC(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@@H](NC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c21-12-10-18(19-17-8-9-17)16-7-4-11-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19,21H,4,7-14H2/t16-,18-/m1/s1
InChIKeyOZUTYNJENZEIRC-SJLPKXTDSA-N
MW288.43 g/mol
LogP2.40
Rot. Bonds7

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

(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol (PubChem CID 97169776) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
PubChem CID97169776
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@@H](NC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c21-12-10-18(19-17-8-9-17)16-7-4-11-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19,21H,4,7-14H2/t16-,18-/m1/s1
InChIKeyOZUTYNJENZEIRC-SJLPKXTDSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 97174994
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
CID 71647998
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol?
The IUPAC name of (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol (CID 97169776) is (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol is OCC[C@@H](NC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol?
The InChIKey is OZUTYNJENZEIRC-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H28N2O/c21-12-10-18(19-17-8-9-17)16-7-4-11-20(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19,21H,4,7-14H2/t16-,18-/m1/s1.
What are the key properties of (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol?
(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 97169776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).