(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol

C18H28N2O — CID 97169784

IUPAC(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@H](NC1CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c21-13-10-18(19-17-6-7-17)16-8-11-20(12-9-16)14-15-4-2-1-3-5-15/h1-5,16-19,21H,6-14H2/t18-/m0/s1
InChIKeyWDEIUNYEONFYOZ-SFHVURJKSA-N
MW288.43 g/mol
LogP2.40
Rot. Bonds7

About (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol

(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol (PubChem CID 97169784) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
PubChem CID97169784
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
SMILESOCC[C@H](NC1CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c21-13-10-18(19-17-6-7-17)16-8-11-20(12-9-16)14-15-4-2-1-3-5-15/h1-5,16-19,21H,6-14H2/t18-/m0/s1
InChIKeyWDEIUNYEONFYOZ-SFHVURJKSA-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

(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169776
(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
CID 71647998
(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 97174994
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
CID 83977147
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol?
The IUPAC name of (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol (CID 97169784) is (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol is OCC[C@H](NC1CC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol?
The InChIKey is WDEIUNYEONFYOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O/c21-13-10-18(19-17-6-7-17)16-8-11-20(12-9-16)14-15-4-2-1-3-5-15/h1-5,16-19,21H,6-14H2/t18-/m0/s1.
What are the key properties of (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol?
(3S)-3-(1-benzylpiperidin-4-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 (3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 97169784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).