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

C14H21NO — CID 117025087

IUPAC4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
SMILESCc1cccc(N2CCC(C)(C)C(O)C2)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)15-8-7-14(2,3)13(16)10-15/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyLPWWVNZRGVWVCC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds1

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

4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol (PubChem CID 117025087) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
PubChem CID117025087
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
SMILESCc1cccc(N2CCC(C)(C)C(O)C2)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)15-8-7-14(2,3)13(16)10-15/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyLPWWVNZRGVWVCC-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
CID 117019440
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 115050174
3-(3-methylphenyl)-3,6-diazabicyclo[3.1.1]heptane
CID 84770848
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol?
The IUPAC name of 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol (CID 117025087) is 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol is Cc1cccc(N2CCC(C)(C)C(O)C2)c1.
What is the InChIKey of 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol?
The InChIKey is LPWWVNZRGVWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)15-8-7-14(2,3)13(16)10-15/h4-6,9,13,16H,7-8,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol?
4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol is sourced from PubChem (CID 117025087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).