(3S)-3-[(3-methylphenyl)methyl]piperidine

C13H19N — CID 39345685

IUPAC(3S)-3-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(C[C@@H]2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-11-4-2-5-12(8-11)9-13-6-3-7-14-10-13/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyQGDXLGZYLHVIMJ-ZDUSSCGKSA-N
MW189.30 g/mol
LogP2.54
Rot. Bonds2

About (3S)-3-[(3-methylphenyl)methyl]piperidine

(3S)-3-[(3-methylphenyl)methyl]piperidine (PubChem CID 39345685) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3S)-3-[(3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(3-methylphenyl)methyl]piperidine
PubChem CID39345685
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3S)-3-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(C[C@@H]2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-11-4-2-5-12(8-11)9-13-6-3-7-14-10-13/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyQGDXLGZYLHVIMJ-ZDUSSCGKSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-methylphenyl)methyl]piperidine?
The IUPAC name of (3S)-3-[(3-methylphenyl)methyl]piperidine (CID 39345685) is (3S)-3-[(3-methylphenyl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(3-methylphenyl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(3-methylphenyl)methyl]piperidine is Cc1cccc(C[C@@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[(3-methylphenyl)methyl]piperidine?
The InChIKey is QGDXLGZYLHVIMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N/c1-11-4-2-5-12(8-11)9-13-6-3-7-14-10-13/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[(3-methylphenyl)methyl]piperidine?
(3S)-3-[(3-methylphenyl)methyl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 39345685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).