1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine

C17H27N — CID 139561533

IUPAC1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
SMILESCCc1ccc(CC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-16-7-9-17(10-8-16)13-15(2)14-18-11-5-4-6-12-18/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyNBUJWKJVAJTBAK-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.91
Rot. Bonds5

About 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine

1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine (PubChem CID 139561533) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
PubChem CID139561533
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
SMILESCCc1ccc(CC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-16-7-9-17(10-8-16)13-15(2)14-18-11-5-4-6-12-18/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyNBUJWKJVAJTBAK-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 82090555
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 124510585

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine?
The IUPAC name of 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine (CID 139561533) is 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine?
The canonical SMILES for 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine is CCc1ccc(CC(C)CN2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine?
The InChIKey is NBUJWKJVAJTBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-16-7-9-17(10-8-16)13-15(2)14-18-11-5-4-6-12-18/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine?
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine is sourced from PubChem (CID 139561533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).