1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine

C17H27N — CID 177291992

IUPAC1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
SMILESCc1cc(CCN2CCCCC2)ccc1C(C)C
InChIInChI=1S/C17H27N/c1-14(2)17-8-7-16(13-15(17)3)9-12-18-10-5-4-6-11-18/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyABCOWSLKUMCHNB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.15
Rot. Bonds4

About 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine

1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine (PubChem CID 177291992) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
PubChem CID177291992
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
SMILESCc1cc(CCN2CCCCC2)ccc1C(C)C
InChIInChI=1S/C17H27N/c1-14(2)17-8-7-16(13-15(17)3)9-12-18-10-5-4-6-11-18/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyABCOWSLKUMCHNB-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
CID 177292070
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
CID 173324718
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride
CID 20541877
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine (CID 177291992) is 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine is Cc1cc(CCN2CCCCC2)ccc1C(C)C.
What is the InChIKey of 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine?
The InChIKey is ABCOWSLKUMCHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)17-8-7-16(13-15(17)3)9-12-18-10-5-4-6-11-18/h7-8,13-14H,4-6,9-12H2,1-3H3.
What are the key properties of 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine?
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine is sourced from PubChem (CID 177291992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).