[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

C15H20ClNO — CID 6932219

IUPAC[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO/c1-11-4-3-5-12(2)17(11)15(18)14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMNWWXFPCHXGIGF-VXGBXAGGSA-N
MW265.78 g/mol
LogP3.83
Rot. Bonds2

About [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 6932219) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID6932219
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO/c1-11-4-3-5-12(2)17(11)15(18)14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMNWWXFPCHXGIGF-VXGBXAGGSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.83
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

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850
[4-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968290
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60816372
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 6932219) is [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is MNWWXFPCHXGIGF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-4-3-5-12(2)17(11)15(18)14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 265.78 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 6932219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).