5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine

C24H32N2 — CID 3030528

IUPAC5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
SMILES[H]/N=C(\CC)C(c1ccccc1)(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C24H32N2/c1-3-23(25)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-26-17-11-6-12-18-26/h4-5,7-10,13-16,20,25H,3,6,11-12,17-19H2,1-2H3/b25-23+
InChIKeySDINSNRYAIPOQI-WJTDDFOZSA-N
MW348.53 g/mol
LogP5.52
Rot. Bonds7

About 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine

5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine (PubChem CID 3030528) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine.

Molecular Properties

Compound Name5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
PubChem CID3030528
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
SMILES[H]/N=C(\CC)C(c1ccccc1)(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C24H32N2/c1-3-23(25)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-26-17-11-6-12-18-26/h4-5,7-10,13-16,20,25H,3,6,11-12,17-19H2,1-2H3/b25-23+
InChIKeySDINSNRYAIPOQI-WJTDDFOZSA-N
XLogP5.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride
CID 70103154
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
3-methyl-4-morpholin-4-yl-2,2-diphenylbutanoic acid;sulfuric acid
CID 138397409
(3S)-2,2-bis(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one;(3S)-2-(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-2-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 159786107
[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate
CID 7407978
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The IUPAC name of 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine (CID 3030528) is 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine.
What is the SMILES notation for 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The canonical SMILES for 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine is [H]/N=C(\CC)C(c1ccccc1)(c1ccccc1)C(C)CN1CCCCC1.
What is the InChIKey of 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
The InChIKey is SDINSNRYAIPOQI-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-23(25)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-26-17-11-6-12-18-26/h4-5,7-10,13-16,20,25H,3,6,11-12,17-19H2,1-2H3/b25-23+.
What are the key properties of 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine?
5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine has a molecular weight of 348.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine is sourced from PubChem (CID 3030528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).