3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine

C18H30N4 — CID 83980175

IUPAC3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(CC(c2ccccn2)N2CCNC(C)C2)C1
InChIInChI=1S/C18H30N4/c1-15-6-5-10-21(12-15)14-18(17-7-3-4-8-20-17)22-11-9-19-16(2)13-22/h3-4,7-8,15-16,18-19H,5-6,9-14H2,1-2H3
InChIKeyBZNUVAHHXJSMNU-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.15
Rot. Bonds4

About 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine

3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine (PubChem CID 83980175) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
PubChem CID83980175
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(CC(c2ccccn2)N2CCNC(C)C2)C1
InChIInChI=1S/C18H30N4/c1-15-6-5-10-21(12-15)14-18(17-7-3-4-8-20-17)22-11-9-19-16(2)13-22/h3-4,7-8,15-16,18-19H,5-6,9-14H2,1-2H3
InChIKeyBZNUVAHHXJSMNU-UHFFFAOYSA-N
XLogP2.15
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980176
1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
CID 82201838
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
CID 83980171
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
2,6-dimethyl-4-(2-piperazin-1-yl-1-pyridin-2-ylethyl)morpholine
CID 82201847
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 83980147
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine
CID 83978966
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The IUPAC name of 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine (CID 83980175) is 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine is CC1CCCN(CC(c2ccccn2)N2CCNC(C)C2)C1.
What is the InChIKey of 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The InChIKey is BZNUVAHHXJSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-15-6-5-10-21(12-15)14-18(17-7-3-4-8-20-17)22-11-9-19-16(2)13-22/h3-4,7-8,15-16,18-19H,5-6,9-14H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine has a molecular weight of 302.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 83980175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).