(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol

C14H22N2O — CID 125493739

IUPAC(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol
SMILESC[C@H]1CN(N(C)C)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12-11-16(15(2)3)10-9-14(12,17)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyITEBPJUZUQSPRV-GXTWGEPZSA-N
MW234.34 g/mol
LogP1.69
Rot. Bonds2

About (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol

(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol (PubChem CID 125493739) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol
PubChem CID125493739
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol
SMILESC[C@H]1CN(N(C)C)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12-11-16(15(2)3)10-9-14(12,17)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyITEBPJUZUQSPRV-GXTWGEPZSA-N
XLogP1.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenyl-1-propan-2-ylpiperidin-4-ol
CID 134380041
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
N-(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-1-phenylmethanesulfonamide
CID 21327224
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 7079870
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 54168039

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol (CID 125493739) is (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol is C[C@H]1CN(N(C)C)CC[C@]1(O)c1ccccc1.
What is the InChIKey of (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol?
The InChIKey is ITEBPJUZUQSPRV-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-11-16(15(2)3)10-9-14(12,17)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol?
(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 125493739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).