4-(2-methylphenyl)piperidine-3-carboxylate

C13H16NO2- — CID 23157120

IUPAC4-(2-methylphenyl)piperidine-3-carboxylate
SMILESCc1ccccc1C1CCNCC1C(=O)[O-]
InChIInChI=1S/C13H17NO2/c1-9-4-2-3-5-10(9)11-6-7-14-8-12(11)13(15)16/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)/p-1
InChIKeyTURGPEFUDBQUQQ-UHFFFAOYSA-M
MW218.28 g/mol
LogP0.44
Rot. Bonds2

About 4-(2-methylphenyl)piperidine-3-carboxylate

4-(2-methylphenyl)piperidine-3-carboxylate (PubChem CID 23157120) has the molecular formula C13H16NO2- and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(2-methylphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name4-(2-methylphenyl)piperidine-3-carboxylate
PubChem CID23157120
Molecular FormulaC13H16NO2-
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-(2-methylphenyl)piperidine-3-carboxylate
SMILESCc1ccccc1C1CCNCC1C(=O)[O-]
InChIInChI=1S/C13H17NO2/c1-9-4-2-3-5-10(9)11-6-7-14-8-12(11)13(15)16/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)/p-1
InChIKeyTURGPEFUDBQUQQ-UHFFFAOYSA-M
XLogP0.44
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)piperidin-4-ol
CID 117168026
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798782
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4R)-4-(2-methylphenyl)piperidin-3-yl]methanone
CID 68730574
(3R,4S)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972027
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
3-(fluoromethyl)-4-(2-methylphenyl)piperidine
CID 23157157
1-[(2S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 66694301
1-[(2S,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 90396352
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
pyrrolidin-3-ol;1,2-xylene
CID 142175106
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)piperidine-3-carboxylate?
The IUPAC name of 4-(2-methylphenyl)piperidine-3-carboxylate (CID 23157120) is 4-(2-methylphenyl)piperidine-3-carboxylate.
What is the SMILES notation for 4-(2-methylphenyl)piperidine-3-carboxylate?
The canonical SMILES for 4-(2-methylphenyl)piperidine-3-carboxylate is Cc1ccccc1C1CCNCC1C(=O)[O-].
What is the InChIKey of 4-(2-methylphenyl)piperidine-3-carboxylate?
The InChIKey is TURGPEFUDBQUQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO2/c1-9-4-2-3-5-10(9)11-6-7-14-8-12(11)13(15)16/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)/p-1.
What are the key properties of 4-(2-methylphenyl)piperidine-3-carboxylate?
4-(2-methylphenyl)piperidine-3-carboxylate has a molecular weight of 218.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 23157120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).