3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol

C21H33NO — CID 18637216

IUPAC3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCC2CCCCC2)CC[C@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-/m0/s1
InChIKeyBJKXRIMJMHAGSP-UWJYYQICSA-N
MW315.50 g/mol
LogP4.96
Rot. Bonds4

About 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 18637216) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID18637216
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCC2CCCCC2)CC[C@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-/m0/s1
InChIKeyBJKXRIMJMHAGSP-UWJYYQICSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol with MolForge

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Related Compounds

3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
3-[1-[3-(3-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 70411129
3-[(3R,4S)-1-[(3R)-3-cyclohexyl-3-methoxypropyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637266
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]-N-methylpropanediamide
CID 57257206
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637262
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]butanediamide;hydrochloride
CID 67792979

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 18637216) is 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CN(CCC2CCCCC2)CC[C@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is BJKXRIMJMHAGSP-UWJYYQICSA-N. The full InChI is InChI=1S/C21H33NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h6,9-10,15,17-18,23H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-/m0/s1.
What are the key properties of 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 315.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 18637216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).