(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol

C14H20ClNO — CID 170437243

IUPAC(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol
SMILESCc1cc(Cl)ccc1C1(O)[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C14H20ClNO/c1-9-6-12(15)4-5-13(9)14(17)10(2)7-16-8-11(14)3/h4-6,10-11,16-17H,7-8H2,1-3H3/t10-,11+,14?
InChIKeyLUDNVZRDGFPEND-BVUQATHDSA-N
MW253.77 g/mol
LogP2.71
Rot. Bonds1

About (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol

(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol (PubChem CID 170437243) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol
PubChem CID170437243
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol
SMILESCc1cc(Cl)ccc1C1(O)[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C14H20ClNO/c1-9-6-12(15)4-5-13(9)14(17)10(2)7-16-8-11(14)3/h4-6,10-11,16-17H,7-8H2,1-3H3/t10-,11+,14?
InChIKeyLUDNVZRDGFPEND-BVUQATHDSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-4-(4-chloro-2-methylphenyl)-1-(1,1-dioxothian-4-yl)-3,5-dimethylpiperidin-4-ol
CID 170614438
4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol
CID 114502007
tert-butyl N-[2-[(3S,5R)-4-(4-chloro-2-methylphenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 170448853
3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774
1-(2,5-dichlorophenyl)-2-methylcyclopropan-1-ol
CID 79332312
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 23137070
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
6-chloro-3-hydroxy-3-methyl-1,2-dihydroisoindole-1-carbaldehyde
CID 174729862
(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59131053
(3R,5S)-4-(4-isocyanophenyl)-3,5-dimethylpiperidin-4-ol
CID 59131034

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol (CID 170437243) is (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol is Cc1cc(Cl)ccc1C1(O)[C@H](C)CNC[C@@H]1C.
What is the InChIKey of (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol?
The InChIKey is LUDNVZRDGFPEND-BVUQATHDSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-6-12(15)4-5-13(9)14(17)10(2)7-16-8-11(14)3/h4-6,10-11,16-17H,7-8H2,1-3H3/t10-,11+,14?.
What are the key properties of (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol?
(3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-(4-chloro-2-methylphenyl)-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 170437243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).