1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine

C16H25N — CID 153136361

IUPAC1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
SMILESCc1cccc(CN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H25N/c1-13(2)16-7-9-17(10-8-16)12-15-6-4-5-14(3)11-15/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyVXTFHMLETXGGHE-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine

1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 153136361) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
PubChem CID153136361
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
SMILESCc1cccc(CN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H25N/c1-13(2)16-7-9-17(10-8-16)12-15-6-4-5-14(3)11-15/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyVXTFHMLETXGGHE-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 154872949
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine (CID 153136361) is 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine is Cc1cccc(CN2CCC(C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is VXTFHMLETXGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)16-7-9-17(10-8-16)12-15-6-4-5-14(3)11-15/h4-6,11,13,16H,7-10,12H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine?
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 153136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).