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

C18H30N4 — CID 83978966

IUPAC2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine
SMILESCC1CCCN(CC(c2cccnc2)N2CCNCC2C)C1
InChIInChI=1S/C18H30N4/c1-15-5-4-9-21(13-15)14-18(17-6-3-7-19-12-17)22-10-8-20-11-16(22)2/h3,6-7,12,15-16,18,20H,4-5,8-11,13-14H2,1-2H3
InChIKeyOSVJBYWXPFURCN-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.15
Rot. Bonds4

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

2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine (PubChem CID 83978966) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine
PubChem CID83978966
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine
SMILESCC1CCCN(CC(c2cccnc2)N2CCNCC2C)C1
InChIInChI=1S/C18H30N4/c1-15-5-4-9-21(13-15)14-18(17-6-3-7-19-12-17)22-10-8-20-11-16(22)2/h3,6-7,12,15-16,18,20H,4-5,8-11,13-14H2,1-2H3
InChIKeyOSVJBYWXPFURCN-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine?
The IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine (CID 83978966) is 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine?
The canonical SMILES for 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine is CC1CCCN(CC(c2cccnc2)N2CCNCC2C)C1.
What is the InChIKey of 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine?
The InChIKey is OSVJBYWXPFURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-15-5-4-9-21(13-15)14-18(17-6-3-7-19-12-17)22-10-8-20-11-16(22)2/h3,6-7,12,15-16,18,20H,4-5,8-11,13-14H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine?
2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-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 2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine is sourced from PubChem (CID 83978966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).