N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine

C20H27N3O — CID 22397650

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
SMILESONCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c24-21-12-7-13-22-14-16-23(17-15-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21,24H,7,12-17H2
InChIKeyNBSBRNIANFMFGE-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine

N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine (PubChem CID 22397650) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
PubChem CID22397650
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
SMILESONCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c24-21-12-7-13-22-14-16-23(17-15-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21,24H,7,12-17H2
InChIKeyNBSBRNIANFMFGE-UHFFFAOYSA-N
XLogP2.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine 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
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-phenylurea
CID 110173228
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
CID 145193842
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
(1R)-4-(4-benzhydrylpiperazin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 76965746

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine (CID 22397650) is N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine is ONCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine?
The InChIKey is NBSBRNIANFMFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-21-12-7-13-22-14-16-23(17-15-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21,24H,7,12-17H2.
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine?
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine has a molecular weight of 325.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine is sourced from PubChem (CID 22397650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).