1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine

C13H27N3 — CID 142812235

IUPAC1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-13-4-3-5-16(12-13)11-10-15-8-6-14(2)7-9-15/h13H,3-12H2,1-2H3
InChIKeyCQAAHRIHSDHEKM-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.97
Rot. Bonds3

About 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine

1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine (PubChem CID 142812235) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine
PubChem CID142812235
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-13-4-3-5-16(12-13)11-10-15-8-6-14(2)7-9-15/h13H,3-12H2,1-2H3
InChIKeyCQAAHRIHSDHEKM-UHFFFAOYSA-N
XLogP0.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dipiperidinoethane
CID 74733
1,1'-Methylenebis[3-methylpiperidine]
CID 111445
3,7-Dipropyl-3,7-diazabicyclo(3.3.1)nonane
CID 16045513
1-Methyl-4-(piperidin-3-ylmethyl)piperazine
CID 20668416
3,7-Diazabicyclo[3.3.1]nonane, 3,7-dimethyl-
CID 139831
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperazine, 1-(cyclohexylmethyl)-4-ethyl-(9CI)
CID 782604
1-[(1-Methylpiperidin-3-yl)methyl]piperazine
CID 2736940
3,7-Dibutyl-3,7-diazabicyclo[3.3.1]nonane
CID 47337
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
1-(Cyclohexylmethyl)-4-methylpiperazine
CID 783723
1,3-Di-(3-methylpiperidino)propane dihydrochloride
CID 13610537

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine (CID 142812235) is 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine is CC1CCCN(CCN2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is CQAAHRIHSDHEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13-4-3-5-16(12-13)11-10-15-8-6-14(2)7-9-15/h13H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine?
1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3-methylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 142812235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).