N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine

C20H23N3O2 — CID 5073866

IUPACN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCOc1ccccc1N1CCN(C2C(=NO)Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)22-10-12-23(13-11-22)20-16-7-3-2-6-15(16)14-17(20)21-24/h2-9,20,24H,10-14H2,1H3
InChIKeyGREUMLUNNGVTLB-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds3

About N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine (PubChem CID 5073866) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
PubChem CID5073866
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCOc1ccccc1N1CCN(C2C(=NO)Cc3ccccc32)CC1
InChIInChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)22-10-12-23(13-11-22)20-16-7-3-2-6-15(16)14-17(20)21-24/h2-9,20,24H,10-14H2,1H3
InChIKeyGREUMLUNNGVTLB-UHFFFAOYSA-N
XLogP2.94
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.94
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

(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
CID 99641963
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
(2S,3S)-5,8-dichloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 54490932
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 21439796
(2S,3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 54362552
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine (CID 5073866) is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine is COc1ccccc1N1CCN(C2C(=NO)Cc3ccccc32)CC1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The InChIKey is GREUMLUNNGVTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)22-10-12-23(13-11-22)20-16-7-3-2-6-15(16)14-17(20)21-24/h2-9,20,24H,10-14H2,1H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine has a molecular weight of 337.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 5073866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).