[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine

C17H22N4O — CID 43823491

IUPAC[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCOc1cccc(N2CCN(c3ncccc3CN)CC2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11,13,18H2,1H3
InChIKeyKKRZLOTYIXNZSK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.88
Rot. Bonds4

About [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine

[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine (PubChem CID 43823491) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
PubChem CID43823491
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCOc1cccc(N2CCN(c3ncccc3CN)CC2)c1
InChIInChI=1S/C17H22N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11,13,18H2,1H3
InChIKeyKKRZLOTYIXNZSK-UHFFFAOYSA-N
XLogP1.88
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111291180
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
1-(3-methoxyphenyl)azepane
CID 57276431
3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 171997761
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine (CID 43823491) is [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine is COc1cccc(N2CCN(c3ncccc3CN)CC2)c1.
What is the InChIKey of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is KKRZLOTYIXNZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11,13,18H2,1H3.
What are the key properties of [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine?
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 43823491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).