1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine

C12H21ClN2 — CID 60979508

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
SMILESCl/C=C/CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H21ClN2/c13-6-3-9-15-8-2-4-11(10-15)12-5-1-7-14-12/h3,6,11-12,14H,1-2,4-5,7-10H2/b6-3+
InChIKeyPBJVENMRFVYUCE-ZZXKWVIFSA-N
MW228.77 g/mol
LogP2.20
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine

1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60979508) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60979508
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
SMILESCl/C=C/CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H21ClN2/c13-6-3-9-15-8-2-4-11(10-15)12-5-1-7-14-12/h3,6,11-12,14H,1-2,4-5,7-10H2/b6-3+
InChIKeyPBJVENMRFVYUCE-ZZXKWVIFSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine (CID 60979508) is 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine is Cl/C=C/CN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is PBJVENMRFVYUCE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H21ClN2/c13-6-3-9-15-8-2-4-11(10-15)12-5-1-7-14-12/h3,6,11-12,14H,1-2,4-5,7-10H2/b6-3+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine?
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 228.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60979508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).