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

C18H24N4O — CID 66864566

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(N2CCN(CCNc3ccccn3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-23-17-7-5-16(6-8-17)22-14-12-21(13-15-22)11-10-20-18-4-2-3-9-19-18/h2-9H,10-15H2,1H3,(H,19,20)
InChIKeyPVFOYGWYIVLKLP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.32
Rot. Bonds6

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

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine (PubChem CID 66864566) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
PubChem CID66864566
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(N2CCN(CCNc3ccccn3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-23-17-7-5-16(6-8-17)22-14-12-21(13-15-22)11-10-20-18-4-2-3-9-19-18/h2-9H,10-15H2,1H3,(H,19,20)
InChIKeyPVFOYGWYIVLKLP-UHFFFAOYSA-N
XLogP2.32
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine (CID 66864566) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine is COc1ccc(N2CCN(CCNc3ccccn3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine?
The InChIKey is PVFOYGWYIVLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-17-7-5-16(6-8-17)22-14-12-21(13-15-22)11-10-20-18-4-2-3-9-19-18/h2-9H,10-15H2,1H3,(H,19,20).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 66864566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).