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

C19H26N4O — CID 609482

IUPACN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine
SMILESCOc1ccccc1N1CCN(CC(C)Nc2ccccn2)CC1
InChIInChI=1S/C19H26N4O/c1-16(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)17-7-3-4-8-18(17)24-2/h3-10,16H,11-15H2,1-2H3,(H,20,21)
InChIKeyNXKQOUCHOUPANB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.71
Rot. Bonds6

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

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine (PubChem CID 609482) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine
PubChem CID609482
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine
SMILESCOc1ccccc1N1CCN(CC(C)Nc2ccccn2)CC1
InChIInChI=1S/C19H26N4O/c1-16(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)17-7-3-4-8-18(17)24-2/h3-10,16H,11-15H2,1-2H3,(H,20,21)
InChIKeyNXKQOUCHOUPANB-UHFFFAOYSA-N
XLogP2.71
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine (CID 609482) is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine is COc1ccccc1N1CCN(CC(C)Nc2ccccn2)CC1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine?
The InChIKey is NXKQOUCHOUPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)17-7-3-4-8-18(17)24-2/h3-10,16H,11-15H2,1-2H3,(H,20,21).
What are the key properties of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine?
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]pyridin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.71, 6 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]propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 609482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).