1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine

C31H38N2 — CID 57328077

IUPAC1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
SMILESc1ccc(CC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C31H38N2/c1-4-10-26(11-5-1)24-31(33-22-8-3-9-23-33)30-18-16-29(17-19-30)28-14-12-27(13-15-28)25-32-20-6-2-7-21-32/h1,4-5,10-19,31H,2-3,6-9,20-25H2
InChIKeyWOSHDTVAQQKWQH-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.11
Rot. Bonds7

About 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine

1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine (PubChem CID 57328077) has the molecular formula C31H38N2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
PubChem CID57328077
Molecular FormulaC31H38N2
Molecular Weight438.66 g/mol
Exact Mass438.30
IUPAC Name1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
SMILESc1ccc(CC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C31H38N2/c1-4-10-26(11-5-1)24-31(33-22-8-3-9-23-33)30-18-16-29(17-19-30)28-14-12-27(13-15-28)25-32-20-6-2-7-21-32/h1,4-5,10-19,31H,2-3,6-9,20-25H2
InChIKeyWOSHDTVAQQKWQH-UHFFFAOYSA-N
XLogP7.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phencyclidine
CID 6468
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Flunarizine
CID 941361
Phencyclidine Hydrochloride
CID 9795678
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
MT-45
CID 431865
1-Tritylpiperidine
CID 15372344
Diphenidine
CID 206666

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine (CID 57328077) is 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine is c1ccc(CC(c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
The InChIKey is WOSHDTVAQQKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2/c1-4-10-26(11-5-1)24-31(33-22-8-3-9-23-33)30-18-16-29(17-19-30)28-14-12-27(13-15-28)25-32-20-6-2-7-21-32/h1,4-5,10-19,31H,2-3,6-9,20-25H2.
What are the key properties of 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine?
1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine has a molecular weight of 438.66 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 57328077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).