1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine

C18H22N4O — CID 91224251

IUPAC1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
SMILESO=NC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
InChIKeyFPCMHCXOHZFCTR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.10
Rot. Bonds6

About 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine

1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine (PubChem CID 91224251) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
PubChem CID91224251
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
SMILESO=NC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
InChIKeyFPCMHCXOHZFCTR-UHFFFAOYSA-N
XLogP3.10
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 11797416
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine (CID 91224251) is 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine is O=NC(CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine?
The InChIKey is FPCMHCXOHZFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2.
What are the key properties of 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine?
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine has a molecular weight of 310.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 91224251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).