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

C9H17ClN2 — CID 76919196

IUPAC[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC=CCl
InChIInChI=1S/C9H17ClN2/c10-5-3-7-12-6-2-1-4-9(12)8-11/h3,5,9H,1-2,4,6-8,11H2
InChIKeyJLDVLNJSCPITNN-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.55
Rot. Bonds3

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

[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine (PubChem CID 76919196) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
PubChem CID76919196
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC=CCl
InChIInChI=1S/C9H17ClN2/c10-5-3-7-12-6-2-1-4-9(12)8-11/h3,5,9H,1-2,4,6-8,11H2
InChIKeyJLDVLNJSCPITNN-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
CID 77010212
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
CID 103441569
1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
CID 76991003
[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine
CID 107900720
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
CID 77015374
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
1-(3-chloroprop-2-enyl)azepane-2-carboxylic acid
CID 77047205
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
CID 84680522
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine (CID 76919196) is [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine is NCC1CCCCN1CC=CCl.
What is the InChIKey of [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine?
The InChIKey is JLDVLNJSCPITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c10-5-3-7-12-6-2-1-4-9(12)8-11/h3,5,9H,1-2,4,6-8,11H2.
What are the key properties of [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine?
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine has a molecular weight of 188.70 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 76919196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).