(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine

C20H25N3O2 — CID 10497308

IUPAC(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine
SMILESCOc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3/b21-18+
InChIKeyATWJQYZJOYHFBK-DYTRJAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds6

About (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine

(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine (PubChem CID 10497308) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine
PubChem CID10497308
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine
SMILESCOc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3/b21-18+
InChIKeyATWJQYZJOYHFBK-DYTRJAOYSA-N
XLogP3.09
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Anisopirol
CID 13333
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
2-{(1E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135544868
2-Methoxyfentanyl
CID 12741853
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
1-[4-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10250792
1-[3-(3,4-Dihydro-naphthalen-1-yl)-propyl]-4-(2-methoxy-phenyl)-piperazine
CID 10316605
N-(2-bromo-3-phenyl-2-propen-1-ylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5558381

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine (CID 10497308) is (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine is COc1ccccc1N1CCN(CC/C(=N\O)c2ccccc2)CC1.
What is the InChIKey of (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine?
The InChIKey is ATWJQYZJOYHFBK-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3/b21-18+.
What are the key properties of (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine?
(NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine has a molecular weight of 339.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropylidene]hydroxylamine is sourced from PubChem (CID 10497308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).