2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine

C10H18ClNO — CID 106439104

IUPAC2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine
SMILESCC(=CCl)COCC1CCCCN1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyBLOUMSOUOIXKLM-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.29
Rot. Bonds4

About 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine

2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine (PubChem CID 106439104) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine
PubChem CID106439104
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine
SMILESCC(=CCl)COCC1CCCCN1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyBLOUMSOUOIXKLM-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Methylbut-2-enoxymethyl)piperidine
CID 62339396
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
2-(2-Chloroprop-2-enoxymethyl)piperidine
CID 62341271
2-(2-Methylidenebutoxymethyl)piperidine
CID 66045265
2-(3-Chloroprop-2-enoxymethyl)piperidine
CID 76940248
2-(2,3-Dichloroprop-2-enoxymethyl)piperidine
CID 79174178
3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 106437631
N-(3-chloro-2-methylprop-2-enyl)oxan-3-amine
CID 106437760
3-(3-Chloro-2-methylprop-2-enoxy)piperidine
CID 106439101
2-[(3-Chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
CID 106439105
2-[2-(3-Chloro-2-methylprop-2-enoxy)ethyl]piperidine
CID 106439110
(3S)-3-(3-chloro-2-methylprop-2-enoxy)piperidine
CID 106439132

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine (CID 106439104) is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine is CC(=CCl)COCC1CCCCN1.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine?
The InChIKey is BLOUMSOUOIXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h6,10,12H,2-5,7-8H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine?
2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine has a molecular weight of 203.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]piperidine is sourced from PubChem (CID 106439104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).