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

C11H23N3 — CID 116825350

IUPAC2-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCN1CCCC(CC2CNCCN2)C1
InChIInChI=1S/C11H23N3/c1-14-6-2-3-10(9-14)7-11-8-12-4-5-13-11/h10-13H,2-9H2,1H3
InChIKeyPYLSUSBRVWURDO-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.28
Rot. Bonds2

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

2-[(1-methylpiperidin-3-yl)methyl]piperazine (PubChem CID 116825350) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)methyl]piperazine
PubChem CID116825350
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCN1CCCC(CC2CNCCN2)C1
InChIInChI=1S/C11H23N3/c1-14-6-2-3-10(9-14)7-11-8-12-4-5-13-11/h10-13H,2-9H2,1H3
InChIKeyPYLSUSBRVWURDO-UHFFFAOYSA-N
XLogP0.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 116926394
methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 117270104
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
CID 115238599
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]piperazine?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]piperazine (CID 116825350) is 2-[(1-methylpiperidin-3-yl)methyl]piperazine.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)methyl]piperazine?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)methyl]piperazine is CN1CCCC(CC2CNCCN2)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)methyl]piperazine?
The InChIKey is PYLSUSBRVWURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-6-2-3-10(9-14)7-11-8-12-4-5-13-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)methyl]piperazine?
2-[(1-methylpiperidin-3-yl)methyl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)methyl]piperazine is sourced from PubChem (CID 116825350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).