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

C10H17Cl2N — CID 106439942

IUPAC2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCCCC1CCl
InChIInChI=1S/C10H17Cl2N/c1-9(6-11)8-13-5-3-2-4-10(13)7-12/h6,10H,2-5,7-8H2,1H3
InChIKeyNTDLTGBAGQCCBK-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.22
Rot. Bonds3

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

2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine (PubChem CID 106439942) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
PubChem CID106439942
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCCCC1CCl
InChIInChI=1S/C10H17Cl2N/c1-9(6-11)8-13-5-3-2-4-10(13)7-12/h6,10H,2-5,7-8H2,1H3
InChIKeyNTDLTGBAGQCCBK-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.22
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

N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]methyl]propan-1-amine
CID 106438717
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914
2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
CID 63386513
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
4-(2-ethylazepan-1-yl)-3-methylbut-2-enoic acid
CID 104690512
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
CID 79174008
[1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-yl]methanol
CID 131347178
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine (CID 106439942) is 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine is CC(=CCl)CN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The InChIKey is NTDLTGBAGQCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-9(6-11)8-13-5-3-2-4-10(13)7-12/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine?
2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine has a molecular weight of 222.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 106439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).