3-methoxy-1-(4-phenylbutyl)piperidine

C16H25NO — CID 137341272

IUPAC3-methoxy-1-(4-phenylbutyl)piperidine
SMILESCOC1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-18-16-11-7-13-17(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3
InChIKeyNDPRRDSCHXCLPR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds6

About 3-methoxy-1-(4-phenylbutyl)piperidine

3-methoxy-1-(4-phenylbutyl)piperidine (PubChem CID 137341272) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methoxy-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name3-methoxy-1-(4-phenylbutyl)piperidine
PubChem CID137341272
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methoxy-1-(4-phenylbutyl)piperidine
SMILESCOC1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-18-16-11-7-13-17(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3
InChIKeyNDPRRDSCHXCLPR-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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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Related Compounds

1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142364751
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
CID 58280187
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-phenylbutyl)piperidine?
The IUPAC name of 3-methoxy-1-(4-phenylbutyl)piperidine (CID 137341272) is 3-methoxy-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 3-methoxy-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 3-methoxy-1-(4-phenylbutyl)piperidine is COC1CCCN(CCCCc2ccccc2)C1.
What is the InChIKey of 3-methoxy-1-(4-phenylbutyl)piperidine?
The InChIKey is NDPRRDSCHXCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-16-11-7-13-17(14-16)12-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3.
What are the key properties of 3-methoxy-1-(4-phenylbutyl)piperidine?
3-methoxy-1-(4-phenylbutyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 137341272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).