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

C11H23N3 — CID 4914648

IUPAC1-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCN1CCCCC1CN1CCNCC1
InChIInChI=1S/C11H23N3/c1-13-7-3-2-4-11(13)10-14-8-5-12-6-9-14/h11-12H,2-10H2,1H3
InChIKeyIIPVEBCCKBYRMM-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.38
Rot. Bonds2

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

1-[(1-methylpiperidin-2-yl)methyl]piperazine (PubChem CID 4914648) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]piperazine
PubChem CID4914648
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCN1CCCCC1CN1CCNCC1
InChIInChI=1S/C11H23N3/c1-13-7-3-2-4-11(13)10-14-8-5-12-6-9-14/h11-12H,2-10H2,1H3
InChIKeyIIPVEBCCKBYRMM-UHFFFAOYSA-N
XLogP0.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]piperazine (CID 4914648) is 1-[(1-methylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]piperazine is CN1CCCCC1CN1CCNCC1.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]piperazine?
The InChIKey is IIPVEBCCKBYRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-7-3-2-4-11(13)10-14-8-5-12-6-9-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]piperazine?
1-[(1-methylpiperidin-2-yl)methyl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]piperazine is sourced from PubChem (CID 4914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).