(2S)-2-methylpiperidine-1-carbonyl chloride

C7H12ClNO — CID 45081356

IUPAC(2S)-2-methylpiperidine-1-carbonyl chloride
SMILESC[C@H]1CCCCN1C(=O)Cl
InChIInChI=1S/C7H12ClNO/c1-6-4-2-3-5-9(6)7(8)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQMIKDOBDKNYLGB-LURJTMIESA-N
MW161.63 g/mol
LogP2.22
Rot. Bonds

About (2S)-2-methylpiperidine-1-carbonyl chloride

(2S)-2-methylpiperidine-1-carbonyl chloride (PubChem CID 45081356) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (2S)-2-methylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name(2S)-2-methylpiperidine-1-carbonyl chloride
PubChem CID45081356
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(2S)-2-methylpiperidine-1-carbonyl chloride
SMILESC[C@H]1CCCCN1C(=O)Cl
InChIInChI=1S/C7H12ClNO/c1-6-4-2-3-5-9(6)7(8)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQMIKDOBDKNYLGB-LURJTMIESA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
2-chloropiperidine-1-carbonyl chloride
CID 163909787
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
chloromethyl (2R)-2-methylpiperidine-1-carboxylate
CID 89037261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpiperidine-1-carbonyl chloride?
The IUPAC name of (2S)-2-methylpiperidine-1-carbonyl chloride (CID 45081356) is (2S)-2-methylpiperidine-1-carbonyl chloride.
What is the SMILES notation for (2S)-2-methylpiperidine-1-carbonyl chloride?
The canonical SMILES for (2S)-2-methylpiperidine-1-carbonyl chloride is C[C@H]1CCCCN1C(=O)Cl.
What is the InChIKey of (2S)-2-methylpiperidine-1-carbonyl chloride?
The InChIKey is QMIKDOBDKNYLGB-LURJTMIESA-N. The full InChI is InChI=1S/C7H12ClNO/c1-6-4-2-3-5-9(6)7(8)10/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methylpiperidine-1-carbonyl chloride?
(2S)-2-methylpiperidine-1-carbonyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 45081356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).