(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol

C20H32N2O — CID 142168350

IUPAC(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol
SMILESCN(C)C[C@H]1CN(C2(c3ccccc3)CCCCC2)CC[C@H]1O
InChIInChI=1S/C20H32N2O/c1-21(2)15-17-16-22(14-11-19(17)23)20(12-7-4-8-13-20)18-9-5-3-6-10-18/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,19+/m0/s1
InChIKeySRGYYVQOOIQQJF-PKOBYXMFSA-N
MW316.49 g/mol
LogP3.09
Rot. Bonds4

About (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol

(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol (PubChem CID 142168350) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol
PubChem CID142168350
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol
SMILESCN(C)C[C@H]1CN(C2(c3ccccc3)CCCCC2)CC[C@H]1O
InChIInChI=1S/C20H32N2O/c1-21(2)15-17-16-22(14-11-19(17)23)20(12-7-4-8-13-20)18-9-5-3-6-10-18/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,19+/m0/s1
InChIKeySRGYYVQOOIQQJF-PKOBYXMFSA-N
XLogP3.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol?
The IUPAC name of (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol (CID 142168350) is (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol is CN(C)C[C@H]1CN(C2(c3ccccc3)CCCCC2)CC[C@H]1O.
What is the InChIKey of (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol?
The InChIKey is SRGYYVQOOIQQJF-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H32N2O/c1-21(2)15-17-16-22(14-11-19(17)23)20(12-7-4-8-13-20)18-9-5-3-6-10-18/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol?
(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol has a molecular weight of 316.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol is sourced from PubChem (CID 142168350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).