1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine

C14H27N3 — CID 123597347

IUPAC1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine
SMILESC=C1CCC(N2CCN(C)CC2)NC1C(C)C
InChIInChI=1S/C14H27N3/c1-11(2)14-12(3)5-6-13(15-14)17-9-7-16(4)8-10-17/h11,13-15H,3,5-10H2,1-2,4H3
InChIKeyVDUCPWNQACVNLX-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.52
Rot. Bonds2

About 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine

1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine (PubChem CID 123597347) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine
PubChem CID123597347
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine
SMILESC=C1CCC(N2CCN(C)CC2)NC1C(C)C
InChIInChI=1S/C14H27N3/c1-11(2)14-12(3)5-6-13(15-14)17-9-7-16(4)8-10-17/h11,13-15H,3,5-10H2,1-2,4H3
InChIKeyVDUCPWNQACVNLX-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine (CID 123597347) is 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine is C=C1CCC(N2CCN(C)CC2)NC1C(C)C.
What is the InChIKey of 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine?
The InChIKey is VDUCPWNQACVNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)14-12(3)5-6-13(15-14)17-9-7-16(4)8-10-17/h11,13-15H,3,5-10H2,1-2,4H3.
What are the key properties of 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine?
1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine is sourced from PubChem (CID 123597347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).