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

C14H21NO — CID 84685007

IUPAC1-(2-methylphenyl)-2-piperidin-3-ylethanol
SMILESCc1ccccc1C(O)CC1CCCNC1
InChIInChI=1S/C14H21NO/c1-11-5-2-3-7-13(11)14(16)9-12-6-4-8-15-10-12/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3
InChIKeyNHDANPUHPQKAON-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds3

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

1-(2-methylphenyl)-2-piperidin-3-ylethanol (PubChem CID 84685007) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-piperidin-3-ylethanol
PubChem CID84685007
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methylphenyl)-2-piperidin-3-ylethanol
SMILESCc1ccccc1C(O)CC1CCCNC1
InChIInChI=1S/C14H21NO/c1-11-5-2-3-7-13(11)14(16)9-12-6-4-8-15-10-12/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3
InChIKeyNHDANPUHPQKAON-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
3-[2-(2-methylphenyl)sulfanylethyl]piperidine
CID 62357221
2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde
CID 105471536
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
CID 82086323
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-piperidin-3-ylethanol?
The IUPAC name of 1-(2-methylphenyl)-2-piperidin-3-ylethanol (CID 84685007) is 1-(2-methylphenyl)-2-piperidin-3-ylethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-piperidin-3-ylethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-piperidin-3-ylethanol is Cc1ccccc1C(O)CC1CCCNC1.
What is the InChIKey of 1-(2-methylphenyl)-2-piperidin-3-ylethanol?
The InChIKey is NHDANPUHPQKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-2-3-7-13(11)14(16)9-12-6-4-8-15-10-12/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-piperidin-3-ylethanol?
1-(2-methylphenyl)-2-piperidin-3-ylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-piperidin-3-ylethanol is sourced from PubChem (CID 84685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).