3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine

C22H29NO — CID 23150265

IUPAC3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
SMILESCC1CC(C)CN(CCCOc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H29NO/c1-18-15-19(2)17-23(16-18)13-6-14-24-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,18-19H,6,13-17H2,1-2H3
InChIKeyFFVDOBZZMJCMIL-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.10
Rot. Bonds6

About 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine

3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine (PubChem CID 23150265) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
PubChem CID23150265
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
SMILESCC1CC(C)CN(CCCOc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H29NO/c1-18-15-19(2)17-23(16-18)13-6-14-24-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,18-19H,6,13-17H2,1-2H3
InChIKeyFFVDOBZZMJCMIL-UHFFFAOYSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.10
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

(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
CID 23150286
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
(3R,5R)-3,5-dimethyl-1-[3-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenoxy]propyl]piperidine;oxalic acid
CID 162312541

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine (CID 23150265) is 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine is CC1CC(C)CN(CCCOc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine?
The InChIKey is FFVDOBZZMJCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-15-19(2)17-23(16-18)13-6-14-24-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,18-19H,6,13-17H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine?
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine has a molecular weight of 323.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine is sourced from PubChem (CID 23150265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).