[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol

C16H25NO — CID 117020676

IUPAC[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(CO)CC2(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)11-17-9-8-15(12-18)10-16(17,2)3/h4-7,15,18H,8-12H2,1-3H3
InChIKeyOOTBZKPVYSQCAM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.98
Rot. Bonds3

About [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol

[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 117020676) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
PubChem CID117020676
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(CO)CC2(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)11-17-9-8-15(12-18)10-16(17,2)3/h4-7,15,18H,8-12H2,1-3H3
InChIKeyOOTBZKPVYSQCAM-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine
CID 117020606
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020695
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
CID 45485499
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
CID 117019700
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol (CID 117020676) is [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol is Cc1ccc(CN2CCC(CO)CC2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is OOTBZKPVYSQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-4-6-14(7-5-13)11-17-9-8-15(12-18)10-16(17,2)3/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol?
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 117020676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).