4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine

C18H37N3 — CID 170617106

IUPAC4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
SMILESC=CC1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H19N.C8H18N2/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h4,9-10H,1,5-8H2,2-3H3;8H,4-7H2,1-3H3
InChIKeyISGZFLBEKUPJOA-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.93
Rot. Bonds3

About 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine

4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine (PubChem CID 170617106) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
PubChem CID170617106
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
SMILESC=CC1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H19N.C8H18N2/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h4,9-10H,1,5-8H2,2-3H3;8H,4-7H2,1-3H3
InChIKeyISGZFLBEKUPJOA-UHFFFAOYSA-N
XLogP2.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine
CID 153360549
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal
CID 117266045

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine (CID 170617106) is 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine is C=CC1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is ISGZFLBEKUPJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C8H18N2/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h4,9-10H,1,5-8H2,2-3H3;8H,4-7H2,1-3H3.
What are the key properties of 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine?
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 295.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 170617106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).