2-(3-methylphenyl)-1-piperidin-3-ylethanol

C14H21NO — CID 79019455

IUPAC2-(3-methylphenyl)-1-piperidin-3-ylethanol
SMILESCc1cccc(CC(O)C2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-2-5-12(8-11)9-14(16)13-6-3-7-15-10-13/h2,4-5,8,13-16H,3,6-7,9-10H2,1H3
InChIKeyDHOSWQNHXQXXCQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-methylphenyl)-1-piperidin-3-ylethanol

2-(3-methylphenyl)-1-piperidin-3-ylethanol (PubChem CID 79019455) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-piperidin-3-ylethanol
PubChem CID79019455
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3-methylphenyl)-1-piperidin-3-ylethanol
SMILESCc1cccc(CC(O)C2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-2-5-12(8-11)9-14(16)13-6-3-7-15-10-13/h2,4-5,8,13-16H,3,6-7,9-10H2,1H3
InChIKeyDHOSWQNHXQXXCQ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(4-ethylphenyl)-1-piperidin-3-ylethanol
CID 79019336
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
3-[(3-methylphenyl)methylsulfanyl]piperidine
CID 62766415
1-(2-ethylcyclohexyl)-2-(3-methylphenyl)ethanol
CID 63863084
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
1-piperidin-3-yl-2-pyridin-2-ylethanol
CID 80560318
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-piperidin-3-ylethanol?
The IUPAC name of 2-(3-methylphenyl)-1-piperidin-3-ylethanol (CID 79019455) is 2-(3-methylphenyl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-piperidin-3-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-piperidin-3-ylethanol is Cc1cccc(CC(O)C2CCCNC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-piperidin-3-ylethanol?
The InChIKey is DHOSWQNHXQXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-2-5-12(8-11)9-14(16)13-6-3-7-15-10-13/h2,4-5,8,13-16H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-piperidin-3-ylethanol?
2-(3-methylphenyl)-1-piperidin-3-ylethanol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 79019455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).