3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine

C29H35NO — CID 174368202

IUPAC3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine
SMILESCCC(c1ccccc1)C1CCN(c2ccc(OCc3ccccc3)cc2)CC1(C)C
InChIInChI=1S/C29H35NO/c1-4-27(24-13-9-6-10-14-24)28-19-20-30(22-29(28,2)3)25-15-17-26(18-16-25)31-21-23-11-7-5-8-12-23/h5-18,27-28H,4,19-22H2,1-3H3
InChIKeyUDVDHOMETCDDII-UHFFFAOYSA-N
MW413.61 g/mol
LogP7.31
Rot. Bonds7

About 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine

3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine (PubChem CID 174368202) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine
PubChem CID174368202
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine
SMILESCCC(c1ccccc1)C1CCN(c2ccc(OCc3ccccc3)cc2)CC1(C)C
InChIInChI=1S/C29H35NO/c1-4-27(24-13-9-6-10-14-24)28-19-20-30(22-29(28,2)3)25-15-17-26(18-16-25)31-21-23-11-7-5-8-12-23/h5-18,27-28H,4,19-22H2,1-3H3
InChIKeyUDVDHOMETCDDII-UHFFFAOYSA-N
XLogP7.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024891
N-(2-phenylethyl)-1-(4-phenylmethoxyphenyl)-N-[1-(4-phenylmethoxyphenyl)piperidin-4-yl]piperidin-4-amine
CID 70224263
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
4-[(cyclobutylamino)methyl]-1-(4-phenylmethoxyphenyl)piperidin-4-ol
CID 66783456
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
3-oxo-9-(4-phenylmethoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
CID 66784678
tert-butyl N-[3,3-dimethyl-1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 171498916
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine?
The IUPAC name of 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine (CID 174368202) is 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine is CCC(c1ccccc1)C1CCN(c2ccc(OCc3ccccc3)cc2)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine?
The InChIKey is UDVDHOMETCDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-4-27(24-13-9-6-10-14-24)28-19-20-30(22-29(28,2)3)25-15-17-26(18-16-25)31-21-23-11-7-5-8-12-23/h5-18,27-28H,4,19-22H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine?
3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine has a molecular weight of 413.61 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-phenylmethoxyphenyl)-4-(1-phenylpropyl)piperidine is sourced from PubChem (CID 174368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).