4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine

C9H15Cl2N — CID 106439936

IUPAC4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCC(Cl)CC1
InChIInChI=1S/C9H15Cl2N/c1-8(6-10)7-12-4-2-9(11)3-5-12/h6,9H,2-5,7H2,1H3
InChIKeyZLPZBPXLBFUSKV-UHFFFAOYSA-N
MW208.13 g/mol
LogP2.83
Rot. Bonds2

About 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine

4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine (PubChem CID 106439936) has the molecular formula C9H15Cl2N and a molecular weight of 208.13 g/mol. Its IUPAC name is 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
PubChem CID106439936
Molecular FormulaC9H15Cl2N
Molecular Weight208.13 g/mol
Exact Mass207.06
IUPAC Name4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCC(Cl)CC1
InChIInChI=1S/C9H15Cl2N/c1-8(6-10)7-12-4-2-9(11)3-5-12/h6,9H,2-5,7H2,1H3
InChIKeyZLPZBPXLBFUSKV-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
CID 106439191
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882
4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106440040
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
CID 106440086
1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
CID 106439879
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
CID 106439538
2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439942
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol
CID 106439867
8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 106438488
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
CID 107900967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The IUPAC name of 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine (CID 106439936) is 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The canonical SMILES for 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine is CC(=CCl)CN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The InChIKey is ZLPZBPXLBFUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N/c1-8(6-10)7-12-4-2-9(11)3-5-12/h6,9H,2-5,7H2,1H3.
What are the key properties of 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine has a molecular weight of 208.13 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 106439936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).