[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine

C10H19ClN2 — CID 103441569

IUPAC[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C/C=C/Cl)C(CN)C1
InChIInChI=1S/C10H19ClN2/c1-9-3-6-13(5-2-4-11)10(7-9)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+
InChIKeyAVOLQEHDSVUESQ-DUXPYHPUSA-N
MW202.73 g/mol
LogP1.80
Rot. Bonds3

About [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine

[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441569) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441569
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C/C=C/Cl)C(CN)C1
InChIInChI=1S/C10H19ClN2/c1-9-3-6-13(5-2-4-11)10(7-9)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+
InChIKeyAVOLQEHDSVUESQ-DUXPYHPUSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
CID 131246025
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
CID 76919196
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine
CID 107900720
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
CID 77015374
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[4-methyl-1-(oxolan-3-ylmethyl)piperidin-2-yl]methanamine
CID 103440342
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine (CID 103441569) is [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(C/C=C/Cl)C(CN)C1.
What is the InChIKey of [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is AVOLQEHDSVUESQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9-3-6-13(5-2-4-11)10(7-9)8-12/h2,4,9-10H,3,5-8,12H2,1H3/b4-2+.
What are the key properties of [1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 202.73 g/mol, XLogP of 1.80, 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]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).