1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine

C12H20Cl2N2 — CID 79172880

IUPAC1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
SMILESClC=C(Cl)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H20Cl2N2/c13-8-11(14)9-16-6-3-10(4-7-16)12-2-1-5-15-12/h8,10,12,15H,1-7,9H2
InChIKeyZKPWVPWZHHZVCB-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.77
Rot. Bonds3

About 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine

1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 79172880) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID79172880
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
SMILESClC=C(Cl)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H20Cl2N2/c13-8-11(14)9-16-6-3-10(4-7-16)12-2-1-5-15-12/h8,10,12,15H,1-7,9H2
InChIKeyZKPWVPWZHHZVCB-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine (CID 79172880) is 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine is ClC=C(Cl)CN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is ZKPWVPWZHHZVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2N2/c13-8-11(14)9-16-6-3-10(4-7-16)12-2-1-5-15-12/h8,10,12,15H,1-7,9H2.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine?
1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 263.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 79172880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).