chloromethyl (2R)-2-methylpiperidine-1-carboxylate

C8H14ClNO2 — CID 89037261

IUPACchloromethyl (2R)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)OCCl
InChIInChI=1S/C8H14ClNO2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyHJPVPYZVFDSNLA-SSDOTTSWSA-N
MW191.66 g/mol
LogP2.19
Rot. Bonds1

About chloromethyl (2R)-2-methylpiperidine-1-carboxylate

chloromethyl (2R)-2-methylpiperidine-1-carboxylate (PubChem CID 89037261) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is chloromethyl (2R)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namechloromethyl (2R)-2-methylpiperidine-1-carboxylate
PubChem CID89037261
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namechloromethyl (2R)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)OCCl
InChIInChI=1S/C8H14ClNO2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyHJPVPYZVFDSNLA-SSDOTTSWSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-[1-(chloromethoxycarbonyl)piperidin-2-yl]-2-phenylacetic acid
CID 178113845
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776

Frequently Asked Questions

What is the IUPAC name of chloromethyl (2R)-2-methylpiperidine-1-carboxylate?
The IUPAC name of chloromethyl (2R)-2-methylpiperidine-1-carboxylate (CID 89037261) is chloromethyl (2R)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for chloromethyl (2R)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for chloromethyl (2R)-2-methylpiperidine-1-carboxylate is C[C@@H]1CCCCN1C(=O)OCCl.
What is the InChIKey of chloromethyl (2R)-2-methylpiperidine-1-carboxylate?
The InChIKey is HJPVPYZVFDSNLA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of chloromethyl (2R)-2-methylpiperidine-1-carboxylate?
chloromethyl (2R)-2-methylpiperidine-1-carboxylate has a molecular weight of 191.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl (2R)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 89037261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).