1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine

C13H25N3 — CID 130370601

IUPAC1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine
SMILESC=C(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16/h13H,1,4-11H2,2-3H3
InChIKeyPRJWHLXLGHANFJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.23
Rot. Bonds2

About 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine

1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine (PubChem CID 130370601) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine
PubChem CID130370601
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine
SMILESC=C(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16/h13H,1,4-11H2,2-3H3
InChIKeyPRJWHLXLGHANFJ-UHFFFAOYSA-N
XLogP1.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine (CID 130370601) is 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine is C=C(C)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine?
The InChIKey is PRJWHLXLGHANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16/h13H,1,4-11H2,2-3H3.
What are the key properties of 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine?
1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine has a molecular weight of 223.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-prop-1-en-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 130370601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).