1-benzhydryl-4-octylpiperazine

C25H36N2 — CID 12006583

IUPAC1-benzhydryl-4-octylpiperazine
SMILESCCCCCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H36N2/c1-2-3-4-5-6-13-18-26-19-21-27(22-20-26)25(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,25H,2-6,13,18-22H2,1H3
InChIKeyRYWCKSOMIMHWNK-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.75
Rot. Bonds10

About 1-benzhydryl-4-octylpiperazine

1-benzhydryl-4-octylpiperazine (PubChem CID 12006583) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1-benzhydryl-4-octylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-octylpiperazine
PubChem CID12006583
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name1-benzhydryl-4-octylpiperazine
SMILESCCCCCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H36N2/c1-2-3-4-5-6-13-18-26-19-21-27(22-20-26)25(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,25H,2-6,13,18-22H2,1H3
InChIKeyRYWCKSOMIMHWNK-UHFFFAOYSA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzhydryl-4-octylpiperazine 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

1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
2-[(4-butylpiperazin-1-yl)-phenylmethyl]aniline
CID 20795283
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
2-(4-pentadecylpiperazin-1-yl)-1-phenylethanamine;hydrochloride
CID 139602937
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
CID 22397650
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
[3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoate
CID 3073540
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-octylpiperazine?
The IUPAC name of 1-benzhydryl-4-octylpiperazine (CID 12006583) is 1-benzhydryl-4-octylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-octylpiperazine?
The canonical SMILES for 1-benzhydryl-4-octylpiperazine is CCCCCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-octylpiperazine?
The InChIKey is RYWCKSOMIMHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-2-3-4-5-6-13-18-26-19-21-27(22-20-26)25(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,25H,2-6,13,18-22H2,1H3.
What are the key properties of 1-benzhydryl-4-octylpiperazine?
1-benzhydryl-4-octylpiperazine has a molecular weight of 364.58 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-octylpiperazine is sourced from PubChem (CID 12006583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).