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

C17H27N — CID 177292070

IUPAC1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
SMILESCc1c(CCN2CCCCC2)cccc1C(C)C
InChIInChI=1S/C17H27N/c1-14(2)17-9-7-8-16(15(17)3)10-13-18-11-5-4-6-12-18/h7-9,14H,4-6,10-13H2,1-3H3
InChIKeyHSYDARMPHWKPFK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.15
Rot. Bonds4

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

1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine (PubChem CID 177292070) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
PubChem CID177292070
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
SMILESCc1c(CCN2CCCCC2)cccc1C(C)C
InChIInChI=1S/C17H27N/c1-14(2)17-9-7-8-16(15(17)3)10-13-18-11-5-4-6-12-18/h7-9,14H,4-6,10-13H2,1-3H3
InChIKeyHSYDARMPHWKPFK-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-propan-2-ylphenyl)ethyl]piperazine
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2-[2-(azocan-1-yl)ethyl]aniline
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1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine
CID 82295600
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-[2-(5-methoxy-2-methylphenyl)ethyl]piperidine
CID 175842884
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine (CID 177292070) is 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine is Cc1c(CCN2CCCCC2)cccc1C(C)C.
What is the InChIKey of 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine?
The InChIKey is HSYDARMPHWKPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)17-9-7-8-16(15(17)3)10-13-18-11-5-4-6-12-18/h7-9,14H,4-6,10-13H2,1-3H3.
What are the key properties of 1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine?
1-[2-(2-methyl-3-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-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine is sourced from PubChem (CID 177292070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).