3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol

C14H21NO — CID 115031654

IUPAC3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol
SMILESCc1ccc(CC2CCNCC2(C)O)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13,2)16/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyNPRYDGMKUZZBQO-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol

3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol (PubChem CID 115031654) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol
PubChem CID115031654
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol
SMILESCc1ccc(CC2CCNCC2(C)O)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13,2)16/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyNPRYDGMKUZZBQO-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115025240
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
CID 84702585
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
CID 3282668
1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
CID 138600557
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829838
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol (CID 115031654) is 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol is Cc1ccc(CC2CCNCC2(C)O)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol?
The InChIKey is NPRYDGMKUZZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13,2)16/h3-6,13,15-16H,7-10H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol?
3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 115031654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).