N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine

C13H22N4O — CID 71143130

IUPACN-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cnccc1N1CCNC(COC)C1
InChIInChI=1S/C13H22N4O/c1-3-15-12-8-14-5-4-13(12)17-7-6-16-11(9-17)10-18-2/h4-5,8,11,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyVAXSOKLNSVOZAX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.94
Rot. Bonds5

About N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine

N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 71143130) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID71143130
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine
SMILESCCNc1cnccc1N1CCNC(COC)C1
InChIInChI=1S/C13H22N4O/c1-3-15-12-8-14-5-4-13(12)17-7-6-16-11(9-17)10-18-2/h4-5,8,11,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyVAXSOKLNSVOZAX-UHFFFAOYSA-N
XLogP0.94
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine (CID 71143130) is N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine is CCNc1cnccc1N1CCNC(COC)C1.
What is the InChIKey of N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is VAXSOKLNSVOZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-15-12-8-14-5-4-13(12)17-7-6-16-11(9-17)10-18-2/h4-5,8,11,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine?
N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(methoxymethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 71143130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).