4-(4-butoxyphenyl)-1-propylpiperidine

C18H29NO — CID 57387305

IUPAC4-(4-butoxyphenyl)-1-propylpiperidine
SMILESCCCCOc1ccc(C2CCN(CCC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-5-15-20-18-8-6-16(7-9-18)17-10-13-19(12-4-2)14-11-17/h6-9,17H,3-5,10-15H2,1-2H3
InChIKeySWWDBQCPSWMYHZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds7

About 4-(4-butoxyphenyl)-1-propylpiperidine

4-(4-butoxyphenyl)-1-propylpiperidine (PubChem CID 57387305) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-1-propylpiperidine
PubChem CID57387305
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(4-butoxyphenyl)-1-propylpiperidine
SMILESCCCCOc1ccc(C2CCN(CCC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-5-15-20-18-8-6-16(7-9-18)17-10-13-19(12-4-2)14-11-17/h6-9,17H,3-5,10-15H2,1-2H3
InChIKeySWWDBQCPSWMYHZ-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-butoxyphenyl)-1-propylpiperidine 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-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366
4-(4-octoxyphenyl)piperidine
CID 90176821
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
2-(4-butoxyphenyl)-1-methylpyrrolidine;methane
CID 159295840

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-1-propylpiperidine?
The IUPAC name of 4-(4-butoxyphenyl)-1-propylpiperidine (CID 57387305) is 4-(4-butoxyphenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(4-butoxyphenyl)-1-propylpiperidine?
The canonical SMILES for 4-(4-butoxyphenyl)-1-propylpiperidine is CCCCOc1ccc(C2CCN(CCC)CC2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-1-propylpiperidine?
The InChIKey is SWWDBQCPSWMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-5-15-20-18-8-6-16(7-9-18)17-10-13-19(12-4-2)14-11-17/h6-9,17H,3-5,10-15H2,1-2H3.
What are the key properties of 4-(4-butoxyphenyl)-1-propylpiperidine?
4-(4-butoxyphenyl)-1-propylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-1-propylpiperidine is sourced from PubChem (CID 57387305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).