2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde

C32H38N2O2 — CID 87436524

IUPAC2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde
SMILESO=CC(OC(c1ccccc1)c1ccccc1)N1CCC(C(c2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C32H38N2O2/c35-25-30(36-32(28-15-7-2-8-16-28)29-17-9-3-10-18-29)33-23-19-27(20-24-33)31(26-13-5-1-6-14-26)34-21-11-4-12-22-34/h1-3,5-10,13-18,25,27,30-32H,4,11-12,19-24H2
InChIKeyGMRIAQMPEUCIFJ-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.26
Rot. Bonds9

About 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde

2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde (PubChem CID 87436524) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde
PubChem CID87436524
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde
SMILESO=CC(OC(c1ccccc1)c1ccccc1)N1CCC(C(c2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C32H38N2O2/c35-25-30(36-32(28-15-7-2-8-16-28)29-17-9-3-10-18-29)33-23-19-27(20-24-33)31(26-13-5-1-6-14-26)34-21-11-4-12-22-34/h1-3,5-10,13-18,25,27,30-32H,4,11-12,19-24H2
InChIKeyGMRIAQMPEUCIFJ-UHFFFAOYSA-N
XLogP6.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine
CID 91532833
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
4-[cyclohexyl(phenyl)methyl]-1,1-diethylpiperazin-1-ium
CID 24842365
1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
CID 138460344
[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
CID 174693585
1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde
CID 174766208
1-benzhydryloxypiperidine;hydrochloride
CID 18381951
2,2-dimethyl-5-[phenyl(piperidin-1-yl)methyl]-1,3-dioxane-4,6-dione
CID 71402123
4-[(4-methylcyclohexyl)-phenylmethyl]morpholine
CID 91473970
2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
CID 105471541
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde (CID 87436524) is 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde is O=CC(OC(c1ccccc1)c1ccccc1)N1CCC(C(c2ccccc2)N2CCCCC2)CC1.
What is the InChIKey of 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde?
The InChIKey is GMRIAQMPEUCIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c35-25-30(36-32(28-15-7-2-8-16-28)29-17-9-3-10-18-29)33-23-19-27(20-24-33)31(26-13-5-1-6-14-26)34-21-11-4-12-22-34/h1-3,5-10,13-18,25,27,30-32H,4,11-12,19-24H2.
What are the key properties of 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde?
2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde has a molecular weight of 482.67 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-2-[4-[phenyl(piperidin-1-yl)methyl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 87436524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).