(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol

C24H33NO — CID 101102702

IUPAC(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol
SMILESCC(C)[C@H](N1CCCCC1)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33NO/c1-20(2)23(25-16-10-5-11-17-25)24(26,18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23,26H,5,10-11,16-19H2,1-2H3/t23-/m0/s1
InChIKeyNLJWWMGHOVXBAD-QHCPKHFHSA-N
MW351.53 g/mol
LogP4.71
Rot. Bonds7

About (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol

(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 101102702) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol
PubChem CID101102702
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol
SMILESCC(C)[C@H](N1CCCCC1)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33NO/c1-20(2)23(25-16-10-5-11-17-25)24(26,18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23,26H,5,10-11,16-19H2,1-2H3/t23-/m0/s1
InChIKeyNLJWWMGHOVXBAD-QHCPKHFHSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol (CID 101102702) is (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol is CC(C)[C@H](N1CCCCC1)C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is NLJWWMGHOVXBAD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33NO/c1-20(2)23(25-16-10-5-11-17-25)24(26,18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23,26H,5,10-11,16-19H2,1-2H3/t23-/m0/s1.
What are the key properties of (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol?
(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 351.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 101102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).