2-(3-methylphenyl)-2-piperidin-2-ylethanol

C14H21NO — CID 162723258

IUPAC2-(3-methylphenyl)-2-piperidin-2-ylethanol
SMILESCc1cccc(C(CO)C2CCCCN2)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)13(10-16)14-7-2-3-8-15-14/h4-6,9,13-16H,2-3,7-8,10H2,1H3
InChIKeySPJHPNOWUGXKID-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.21
Rot. Bonds3

About 2-(3-methylphenyl)-2-piperidin-2-ylethanol

2-(3-methylphenyl)-2-piperidin-2-ylethanol (PubChem CID 162723258) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-piperidin-2-ylethanol
PubChem CID162723258
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3-methylphenyl)-2-piperidin-2-ylethanol
SMILESCc1cccc(C(CO)C2CCCCN2)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)13(10-16)14-7-2-3-8-15-14/h4-6,9,13-16H,2-3,7-8,10H2,1H3
InChIKeySPJHPNOWUGXKID-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
CID 19938397
2-(1-phenylpropyl)pyrrolidine;hydrochloride
CID 17389655
2-piperidin-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83987668

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-piperidin-2-ylethanol?
The IUPAC name of 2-(3-methylphenyl)-2-piperidin-2-ylethanol (CID 162723258) is 2-(3-methylphenyl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)-2-piperidin-2-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)-2-piperidin-2-ylethanol is Cc1cccc(C(CO)C2CCCCN2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-piperidin-2-ylethanol?
The InChIKey is SPJHPNOWUGXKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-12(9-11)13(10-16)14-7-2-3-8-15-14/h4-6,9,13-16H,2-3,7-8,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-2-piperidin-2-ylethanol?
2-(3-methylphenyl)-2-piperidin-2-ylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 162723258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).