(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol

C24H32N2O — CID 10451433

IUPAC(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESCc1cccc(CN2CC[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C24H32N2O/c1-19-6-5-7-20(16-19)17-25-13-12-24(27)23(18-25)26-14-10-22(11-15-26)21-8-3-2-4-9-21/h2-9,16,22-24,27H,10-15,17-18H2,1H3/t23-,24-/m1/s1
InChIKeyAOZCHKRVWHUCEP-DNQXCXABSA-N
MW364.53 g/mol
LogP3.81
Rot. Bonds4

About (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol

(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol (PubChem CID 10451433) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
PubChem CID10451433
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESCc1cccc(CN2CC[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C24H32N2O/c1-19-6-5-7-20(16-19)17-25-13-12-24(27)23(18-25)26-14-10-22(11-15-26)21-8-3-2-4-9-21/h2-9,16,22-24,27H,10-15,17-18H2,1H3/t23-,24-/m1/s1
InChIKeyAOZCHKRVWHUCEP-DNQXCXABSA-N
XLogP3.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol (CID 10451433) is (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol is Cc1cccc(CN2CC[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C2)c1.
What is the InChIKey of (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The InChIKey is AOZCHKRVWHUCEP-DNQXCXABSA-N. The full InChI is InChI=1S/C24H32N2O/c1-19-6-5-7-20(16-19)17-25-13-12-24(27)23(18-25)26-14-10-22(11-15-26)21-8-3-2-4-9-21/h2-9,16,22-24,27H,10-15,17-18H2,1H3/t23-,24-/m1/s1.
What are the key properties of (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol has a molecular weight of 364.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol is sourced from PubChem (CID 10451433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).