N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride

C14H19ClN2O — CID 82379735

IUPACN-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16(14(15)18)13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyZCIKBRXKEONGGI-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.94
Rot. Bonds3

About N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride (PubChem CID 82379735) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
PubChem CID82379735
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16(14(15)18)13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyZCIKBRXKEONGGI-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride (CID 82379735) is N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride?
The InChIKey is ZCIKBRXKEONGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16(14(15)18)13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride?
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride has a molecular weight of 266.77 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 82379735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).