(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile

C15H20N2O — CID 98341597

IUPAC(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
SMILESC[C@@H]1CN(C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#N
InChIInChI=1S/C15H20N2O/c1-11-9-17(3)14(12(2)15(11,18)10-16)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9H2,1-3H3/t11-,12+,14+,15-/m1/s1
InChIKeyYYWGOFGEYIAJJS-PAPYEOQZSA-N
MW244.34 g/mol
LogP2.20
Rot. Bonds1

About (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile

(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile (PubChem CID 98341597) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
PubChem CID98341597
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
SMILESC[C@@H]1CN(C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#N
InChIInChI=1S/C15H20N2O/c1-11-9-17(3)14(12(2)15(11,18)10-16)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9H2,1-3H3/t11-,12+,14+,15-/m1/s1
InChIKeyYYWGOFGEYIAJJS-PAPYEOQZSA-N
XLogP2.20
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 100865828
4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
CID 608965
4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile
CID 577408
(2R,3R,5S,6S)-1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
CID 7243028
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
CID 7071822
(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
(3aS,4R,6aS)-5-methyl-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 124709504
1,3,5-trimethyl-4-phenylpiperidin-4-ol;hydrochloride
CID 126467809
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile?
The IUPAC name of (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile (CID 98341597) is (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile?
The canonical SMILES for (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile is C[C@@H]1CN(C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#N.
What is the InChIKey of (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile?
The InChIKey is YYWGOFGEYIAJJS-PAPYEOQZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-17(3)14(12(2)15(11,18)10-16)13-7-5-4-6-8-13/h4-8,11-12,14,18H,9H2,1-3H3/t11-,12+,14+,15-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile?
(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 98341597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).