(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride

C8H14ClNO — CID 94968704

IUPAC(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cl
InChIInChI=1S/C8H14ClNO/c1-6-4-3-5-7(2)10(6)8(9)11/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyJOPVMXGJULJMLT-KNVOCYPGSA-N
MW175.66 g/mol
LogP2.61
Rot. Bonds

About (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride

(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride (PubChem CID 94968704) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride
PubChem CID94968704
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cl
InChIInChI=1S/C8H14ClNO/c1-6-4-3-5-7(2)10(6)8(9)11/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyJOPVMXGJULJMLT-KNVOCYPGSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.61
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

Cyclohexylethylcarbamoyl chloride
CID 11332952
2,6-Dimethyl-1-piperidinecarboxaldehyde
CID 4643970
N-cyclohexyl-N-methylcarbamoyl chloride
CID 15209947
2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
Ucrcmzitbqobax-uhfffaoysa-
CID 14762613
4,4-Difluoro-2-methylpiperidine-1-carbonyl chloride
CID 165496265
8-Azabicyclo[3.2.1]octane-8-carbonyl chloride
CID 12247535
4-(Dipropylamino)piperidine-1-carbonyl chloride
CID 15700341
4-(Dibutylamino)piperidine-1-carbonyl chloride
CID 15700342
4-(Diethylamino)piperidine-1-carbonyl chloride
CID 15700362
2-Methylpiperidine-1-carbonyl chloride
CID 17952004

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride?
The IUPAC name of (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride (CID 94968704) is (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride.
What is the SMILES notation for (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride?
The canonical SMILES for (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride is C[C@@H]1CCC[C@H](C)N1C(=O)Cl.
What is the InChIKey of (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride?
The InChIKey is JOPVMXGJULJMLT-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6-4-3-5-7(2)10(6)8(9)11/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride?
(2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 94968704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).