4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine

C30H35NO — CID 46172910

IUPAC4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
SMILESCC(C)c1ccc(OCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H35NO/c1-24(2)25-14-16-29(17-15-25)32-23-9-20-31-21-18-28(19-22-31)30(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,24H,9,18-23H2,1-2H3
InChIKeyFYDOCNXIIIUVEF-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.18
Rot. Bonds8

About 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine

4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine (PubChem CID 46172910) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
PubChem CID46172910
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
SMILESCC(C)c1ccc(OCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H35NO/c1-24(2)25-14-16-29(17-15-25)32-23-9-20-31-21-18-28(19-22-31)30(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,24H,9,18-23H2,1-2H3
InChIKeyFYDOCNXIIIUVEF-UHFFFAOYSA-N
XLogP7.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]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

2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
CID 71587103
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
2-[4-[4-(4-benzhydrylidenepiperidin-1-yl)-1-hydroxybutyl]-2-methylphenyl]propanoic acid
CID 56981170
N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
CID 18002226
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
CID 161147503
CID 161147503
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine?
The IUPAC name of 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine (CID 46172910) is 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine.
What is the SMILES notation for 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine?
The canonical SMILES for 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine is CC(C)c1ccc(OCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine?
The InChIKey is FYDOCNXIIIUVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-24(2)25-14-16-29(17-15-25)32-23-9-20-31-21-18-28(19-22-31)30(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,24H,9,18-23H2,1-2H3.
What are the key properties of 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine?
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine has a molecular weight of 425.62 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine is sourced from PubChem (CID 46172910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).