2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine

C16H20N4O — CID 19627773

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
SMILESCOc1cccc(N2CCN(c3ncccc3N)CC2)c1
InChIInChI=1S/C16H20N4O/c1-21-14-5-2-4-13(12-14)19-8-10-20(11-9-19)16-15(17)6-3-7-18-16/h2-7,12H,8-11,17H2,1H3
InChIKeyXLGYSFOJFAYNBV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 19627773) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID19627773
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
SMILESCOc1cccc(N2CCN(c3ncccc3N)CC2)c1
InChIInChI=1S/C16H20N4O/c1-21-14-5-2-4-13(12-14)19-8-10-20(11-9-19)16-15(17)6-3-7-18-16/h2-7,12H,8-11,17H2,1H3
InChIKeyXLGYSFOJFAYNBV-UHFFFAOYSA-N
XLogP2.00
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
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
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 63590796
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
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
2-(azocan-1-yl)pyridin-3-amine
CID 28799710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine (CID 19627773) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine is COc1cccc(N2CCN(c3ncccc3N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is XLGYSFOJFAYNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-14-5-2-4-13(12-14)19-8-10-20(11-9-19)16-15(17)6-3-7-18-16/h2-7,12H,8-11,17H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine?
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.00, 3 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]pyridin-3-amine is sourced from PubChem (CID 19627773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).