4-[2-(4-butan-2-ylphenyl)ethyl]piperidine

C17H27N — CID 116925672

IUPAC4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
SMILESCCC(C)c1ccc(CCC2CCNCC2)cc1
InChIInChI=1S/C17H27N/c1-3-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h6-9,14,16,18H,3-5,10-13H2,1-2H3
InChIKeyCACSNYHEVPUXIH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds5

About 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine

4-[2-(4-butan-2-ylphenyl)ethyl]piperidine (PubChem CID 116925672) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
PubChem CID116925672
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
SMILESCCC(C)c1ccc(CCC2CCNCC2)cc1
InChIInChI=1S/C17H27N/c1-3-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h6-9,14,16,18H,3-5,10-13H2,1-2H3
InChIKeyCACSNYHEVPUXIH-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
CID 156895542
4-[2-(azepan-4-yl)ethyl]phenol
CID 84685003
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine (CID 116925672) is 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine is CCC(C)c1ccc(CCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine?
The InChIKey is CACSNYHEVPUXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h6-9,14,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine?
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butan-2-ylphenyl)ethyl]piperidine is sourced from PubChem (CID 116925672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).