methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate

C14H28N2O2 — CID 110459514

IUPACmethyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate
SMILESCOC(=O)N(C)CCCCCCN1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-15(14(17)18-2)10-6-3-4-7-11-16-12-8-5-9-13-16/h3-13H2,1-2H3
InChIKeyFSLQHBOBPPXGQW-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds7

About methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate

methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate (PubChem CID 110459514) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate
PubChem CID110459514
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate
SMILESCOC(=O)N(C)CCCCCCN1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-15(14(17)18-2)10-6-3-4-7-11-16-12-8-5-9-13-16/h3-13H2,1-2H3
InChIKeyFSLQHBOBPPXGQW-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
CID 110459787
methyl N-hexyl-N-methylcarbamate
CID 14923771
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
N-butyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 142122170
CID 162323144
CID 162323144
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate?
The IUPAC name of methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate (CID 110459514) is methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate is COC(=O)N(C)CCCCCCN1CCCCC1.
What is the InChIKey of methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate?
The InChIKey is FSLQHBOBPPXGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15(14(17)18-2)10-6-3-4-7-11-16-12-8-5-9-13-16/h3-13H2,1-2H3.
What are the key properties of methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate?
methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate is sourced from PubChem (CID 110459514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).