3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine

C13H19N3 — CID 20811492

IUPAC3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESC=C1CN(c2ccc(C(C)C)cn2)CCN1
InChIInChI=1S/C13H19N3/c1-10(2)12-4-5-13(15-8-12)16-7-6-14-11(3)9-16/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyMPYSDFPOYPTCBT-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.13
Rot. Bonds2

About 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine

3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 20811492) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
PubChem CID20811492
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESC=C1CN(c2ccc(C(C)C)cn2)CCN1
InChIInChI=1S/C13H19N3/c1-10(2)12-4-5-13(15-8-12)16-7-6-14-11(3)9-16/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyMPYSDFPOYPTCBT-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine (CID 20811492) is 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine is C=C1CN(c2ccc(C(C)C)cn2)CCN1.
What is the InChIKey of 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is MPYSDFPOYPTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)12-4-5-13(15-8-12)16-7-6-14-11(3)9-16/h4-5,8,10,14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine?
3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 217.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 20811492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).