(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol

C14H21NO — CID 59263185

IUPAC(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc([C@]2(O)CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)14(16)7-8-15(3)10-12(14)2/h4-6,9,12,16H,7-8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyQNEWTHRJANXODU-JSGCOSHPSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds1

About (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol

(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 59263185) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
PubChem CID59263185
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc([C@]2(O)CCN(C)C[C@@H]2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)14(16)7-8-15(3)10-12(14)2/h4-6,9,12,16H,7-8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyQNEWTHRJANXODU-JSGCOSHPSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 142054708
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
1,3-dimethyl-4-thiophen-2-ylpiperidin-4-ol
CID 130834241
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
CID 163453306
4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
CID 23312254
3-methyl-4-phenyl-1-propan-2-ylpiperidin-4-ol
CID 134380041
(3S,4R)-1-(dimethylamino)-3-methyl-4-phenylpiperidin-4-ol
CID 125493739
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol (CID 59263185) is (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol is Cc1cccc([C@]2(O)CCN(C)C[C@@H]2C)c1.
What is the InChIKey of (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is QNEWTHRJANXODU-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)14(16)7-8-15(3)10-12(14)2/h4-6,9,12,16H,7-8,10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol?
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 219.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 59263185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).