1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine

C12H21ClN2O — CID 51074024

IUPAC1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESC=C(Cl)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H21ClN2O/c1-11(13)9-14-4-6-15(7-5-14)10-12-3-2-8-16-12/h12H,1-10H2
InChIKeyRJXRJCYAQCRXDU-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.54
Rot. Bonds4

About 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine

1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 51074024) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
PubChem CID51074024
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESC=C(Cl)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H21ClN2O/c1-11(13)9-14-4-6-15(7-5-14)10-12-3-2-8-16-12/h12H,1-10H2
InChIKeyRJXRJCYAQCRXDU-UHFFFAOYSA-N
XLogP1.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine (CID 51074024) is 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine is C=C(Cl)CN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is RJXRJCYAQCRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-11(13)9-14-4-6-15(7-5-14)10-12-3-2-8-16-12/h12H,1-10H2.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine?
1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 244.77 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 51074024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).