1-[(4-butoxyphenyl)methyl]piperidine

C16H25NO — CID 2244929

IUPAC1-[(4-butoxyphenyl)methyl]piperidine
SMILESCCCCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-13-18-16-9-7-15(8-10-16)14-17-11-5-4-6-12-17/h7-10H,2-6,11-14H2,1H3
InChIKeyIROCMWDUEJFAFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds6

About 1-[(4-butoxyphenyl)methyl]piperidine

1-[(4-butoxyphenyl)methyl]piperidine (PubChem CID 2244929) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(4-butoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-butoxyphenyl)methyl]piperidine
PubChem CID2244929
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(4-butoxyphenyl)methyl]piperidine
SMILESCCCCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-2-3-13-18-16-9-7-15(8-10-16)14-17-11-5-4-6-12-17/h7-10H,2-6,11-14H2,1H3
InChIKeyIROCMWDUEJFAFI-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(4-butoxyphenyl)methyl]piperidine (CID 2244929) is 1-[(4-butoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-butoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-butoxyphenyl)methyl]piperidine is CCCCOc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[(4-butoxyphenyl)methyl]piperidine?
The InChIKey is IROCMWDUEJFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-13-18-16-9-7-15(8-10-16)14-17-11-5-4-6-12-17/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 1-[(4-butoxyphenyl)methyl]piperidine?
1-[(4-butoxyphenyl)methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxyphenyl)methyl]piperidine is sourced from PubChem (CID 2244929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).