4-[2-(4-butylphenoxy)ethyl]piperidine

C17H27NO — CID 115492732

IUPAC4-[2-(4-butylphenoxy)ethyl]piperidine
SMILESCCCCc1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-4-15-5-7-17(8-6-15)19-14-11-16-9-12-18-13-10-16/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyGECHNMRHLRLOCB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds7

About 4-[2-(4-butylphenoxy)ethyl]piperidine

4-[2-(4-butylphenoxy)ethyl]piperidine (PubChem CID 115492732) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-(4-butylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-butylphenoxy)ethyl]piperidine
PubChem CID115492732
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-(4-butylphenoxy)ethyl]piperidine
SMILESCCCCc1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-4-15-5-7-17(8-6-15)19-14-11-16-9-12-18-13-10-16/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyGECHNMRHLRLOCB-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-butylphenoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
CID 115492496
N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 135174811
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylphenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(4-butylphenoxy)ethyl]piperidine (CID 115492732) is 4-[2-(4-butylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-butylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-butylphenoxy)ethyl]piperidine is CCCCc1ccc(OCCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-butylphenoxy)ethyl]piperidine?
The InChIKey is GECHNMRHLRLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-15-5-7-17(8-6-15)19-14-11-16-9-12-18-13-10-16/h5-8,16,18H,2-4,9-14H2,1H3.
What are the key properties of 4-[2-(4-butylphenoxy)ethyl]piperidine?
4-[2-(4-butylphenoxy)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylphenoxy)ethyl]piperidine is sourced from PubChem (CID 115492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).