(2R)-2-[(4-methylphenyl)methyl]piperidine

C13H19N — CID 7048103

IUPAC(2R)-2-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(C[C@H]2CCCCN2)cc1
InChIInChI=1S/C13H19N/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13-14H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyBIKBJZWBAXLSJF-CYBMUJFWSA-N
MW189.30 g/mol
LogP2.68
Rot. Bonds2

About (2R)-2-[(4-methylphenyl)methyl]piperidine

(2R)-2-[(4-methylphenyl)methyl]piperidine (PubChem CID 7048103) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)methyl]piperidine
PubChem CID7048103
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R)-2-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(C[C@H]2CCCCN2)cc1
InChIInChI=1S/C13H19N/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13-14H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyBIKBJZWBAXLSJF-CYBMUJFWSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of (2R)-2-[(4-methylphenyl)methyl]piperidine (CID 7048103) is (2R)-2-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for (2R)-2-[(4-methylphenyl)methyl]piperidine is Cc1ccc(C[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)methyl]piperidine?
The InChIKey is BIKBJZWBAXLSJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13-14H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)methyl]piperidine?
(2R)-2-[(4-methylphenyl)methyl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 7048103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).