N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate

C18H26N4O2 — CID 139079173

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate
SMILESCOc1ccccc1N1CCN(CCNc2ccccn2)CC1.O
InChIInChI=1S/C18H24N4O.H2O/c1-23-17-7-3-2-6-16(17)22-14-12-21(13-15-22)11-10-20-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3,(H,19,20);1H2
InChIKeyWBWAFTVKDCUZDL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate (PubChem CID 139079173) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate
PubChem CID139079173
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate
SMILESCOc1ccccc1N1CCN(CCNc2ccccn2)CC1.O
InChIInChI=1S/C18H24N4O.H2O/c1-23-17-7-3-2-6-16(17)22-14-12-21(13-15-22)11-10-20-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3,(H,19,20);1H2
InChIKeyWBWAFTVKDCUZDL-UHFFFAOYSA-N
XLogP1.50
TPSA72.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Way 100635
CID 5684
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
[11C]Jway
CID 11834378
Bisanilinopyrimidine, 6f
CID 70702137
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
CID 11795011
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cyclohexanecarboxamide hydrochloride
CID 44593709

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate (CID 139079173) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate is COc1ccccc1N1CCN(CCNc2ccccn2)CC1.O.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate?
The InChIKey is WBWAFTVKDCUZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.H2O/c1-23-17-7-3-2-6-16(17)22-14-12-21(13-15-22)11-10-20-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3,(H,19,20);1H2.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate has a molecular weight of 330.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine;hydrate is sourced from PubChem (CID 139079173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).