2-(4-butoxyphenyl)piperidine

C15H23NO — CID 3525424

IUPAC2-(4-butoxyphenyl)piperidine
SMILESCCCCOc1ccc(C2CCCCN2)cc1
InChIInChI=1S/C15H23NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyCNDGQZSQYHRAGE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-butoxyphenyl)piperidine

2-(4-butoxyphenyl)piperidine (PubChem CID 3525424) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)piperidine
PubChem CID3525424
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(4-butoxyphenyl)piperidine
SMILESCCCCOc1ccc(C2CCCCN2)cc1
InChIInChI=1S/C15H23NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h7-10,15-16H,2-6,11-12H2,1H3
InChIKeyCNDGQZSQYHRAGE-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-[4-(4-methylcyclohexyl)phenyl]piperidine
CID 117397291
5-(4-butoxyphenyl)-4,5-dihydro-1H-imidazole
CID 129036214
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)piperidine?
The IUPAC name of 2-(4-butoxyphenyl)piperidine (CID 3525424) is 2-(4-butoxyphenyl)piperidine.
What is the SMILES notation for 2-(4-butoxyphenyl)piperidine?
The canonical SMILES for 2-(4-butoxyphenyl)piperidine is CCCCOc1ccc(C2CCCCN2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)piperidine?
The InChIKey is CNDGQZSQYHRAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h7-10,15-16H,2-6,11-12H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)piperidine?
2-(4-butoxyphenyl)piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)piperidine is sourced from PubChem (CID 3525424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).