2-methylidene-1-propan-2-ylpiperazine

C8H16N2 — CID 58459870

IUPAC2-methylidene-1-propan-2-ylpiperazine
SMILESC=C1CNCCN1C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10-5-4-9-6-8(10)3/h7,9H,3-6H2,1-2H3
InChIKeyYSAQGQAYPYFMQN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.81
Rot. Bonds1

About 2-methylidene-1-propan-2-ylpiperazine

2-methylidene-1-propan-2-ylpiperazine (PubChem CID 58459870) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-ylpiperazine
PubChem CID58459870
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methylidene-1-propan-2-ylpiperazine
SMILESC=C1CNCCN1C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10-5-4-9-6-8(10)3/h7,9H,3-6H2,1-2H3
InChIKeyYSAQGQAYPYFMQN-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
Methylenepiperazine
CID 21906973
N-allyl-3-methylpiperazine
CID 23447962
1-(3-Fluorobuta-1,3-dien-2-yl)-3-methylpiperazine
CID 123825895
1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine
CID 176992197
1-Methyl-3-methylidenepiperazine
CID 17920505
1-Methyl-2-methylidenepiperazine
CID 21333562
1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine
CID 21426355
(2E)-2-ethylidenepiperazine
CID 22277249

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-ylpiperazine?
The IUPAC name of 2-methylidene-1-propan-2-ylpiperazine (CID 58459870) is 2-methylidene-1-propan-2-ylpiperazine.
What is the SMILES notation for 2-methylidene-1-propan-2-ylpiperazine?
The canonical SMILES for 2-methylidene-1-propan-2-ylpiperazine is C=C1CNCCN1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-ylpiperazine?
The InChIKey is YSAQGQAYPYFMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10-5-4-9-6-8(10)3/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-ylpiperazine?
2-methylidene-1-propan-2-ylpiperazine has a molecular weight of 140.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-ylpiperazine is sourced from PubChem (CID 58459870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).