1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine

C9H16Cl2N2 — CID 164655976

IUPAC1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1CC=C(Cl)Cl
InChIInChI=1S/C9H16Cl2N2/c1-7-8(12)3-2-5-13(7)6-4-9(10)11/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyGGNLVJUWFXIUKB-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.12
Rot. Bonds2

About 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine

1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine (PubChem CID 164655976) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine
PubChem CID164655976
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine
SMILESCC1C(N)CCCN1CC=C(Cl)Cl
InChIInChI=1S/C9H16Cl2N2/c1-7-8(12)3-2-5-13(7)6-4-9(10)11/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyGGNLVJUWFXIUKB-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methyl-1-(trimethylsilylmethyl)piperidin-3-amine
CID 164655621
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
CID 130993309
3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-2-methylpropanamide
CID 130993208
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557984
(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557930
2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 83684198
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
3-methyl-1-[(2-methylcyclohexyl)methyl]piperidin-2-amine
CID 163122949
4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 60973462
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866962
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine?
The IUPAC name of 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine (CID 164655976) is 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine?
The canonical SMILES for 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine is CC1C(N)CCCN1CC=C(Cl)Cl.
What is the InChIKey of 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine?
The InChIKey is GGNLVJUWFXIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2/c1-7-8(12)3-2-5-13(7)6-4-9(10)11/h4,7-8H,2-3,5-6,12H2,1H3.
What are the key properties of 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine?
1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine has a molecular weight of 223.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine is sourced from PubChem (CID 164655976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).