1-benzhydryl-4-phenylpiperidine-4-carbaldehyde

C25H25NO — CID 10428299

IUPAC1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25NO/c27-20-25(23-14-8-3-9-15-23)16-18-26(19-17-25)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,24H,16-19H2
InChIKeyMPNGIQPZCBWXAQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.01
Rot. Bonds5

About 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde

1-benzhydryl-4-phenylpiperidine-4-carbaldehyde (PubChem CID 10428299) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
PubChem CID10428299
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25NO/c27-20-25(23-14-8-3-9-15-23)16-18-26(19-17-25)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,24H,16-19H2
InChIKeyMPNGIQPZCBWXAQ-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
CID 143193860
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
CID 3024909
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 10388887
1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
CID 138397800
3-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
CID 21149882
(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318
1-benzhydryl-4-methylpiperazine
CID 6726
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde?
The IUPAC name of 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde (CID 10428299) is 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde is O=CC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde?
The InChIKey is MPNGIQPZCBWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c27-20-25(23-14-8-3-9-15-23)16-18-26(19-17-25)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,24H,16-19H2.
What are the key properties of 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde?
1-benzhydryl-4-phenylpiperidine-4-carbaldehyde has a molecular weight of 355.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-phenylpiperidine-4-carbaldehyde is sourced from PubChem (CID 10428299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).