1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine

C10H19ClN2 — CID 76991003

IUPAC1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CC=CCl
InChIInChI=1S/C10H19ClN2/c1-9(12)10-5-2-3-7-13(10)8-4-6-11/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyMCSZDKBRAUKMJE-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine

1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine (PubChem CID 76991003) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
PubChem CID76991003
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CC=CCl
InChIInChI=1S/C10H19ClN2/c1-9(12)10-5-2-3-7-13(10)8-4-6-11/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyMCSZDKBRAUKMJE-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine (CID 76991003) is 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1CC=CCl.
What is the InChIKey of 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine?
The InChIKey is MCSZDKBRAUKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9(12)10-5-2-3-7-13(10)8-4-6-11/h4,6,9-10H,2-3,5,7-8,12H2,1H3.
What are the key properties of 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine?
1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine has a molecular weight of 202.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 76991003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).