1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine

C13H26ClNO — CID 102964339

IUPAC1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
SMILESCOC1CN(CCCCCCCl)CCC1C
InChIInChI=1S/C13H26ClNO/c1-12-7-10-15(11-13(12)16-2)9-6-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyWDWVPCQGNZKPPF-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.14
Rot. Bonds7

About 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine

1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine (PubChem CID 102964339) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine.

Molecular Properties

Compound Name1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
PubChem CID102964339
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
SMILESCOC1CN(CCCCCCCl)CCC1C
InChIInChI=1S/C13H26ClNO/c1-12-7-10-15(11-13(12)16-2)9-6-4-3-5-8-14/h12-13H,3-11H2,1-2H3
InChIKeyWDWVPCQGNZKPPF-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958343
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
4-[3-(3-methoxy-4-methylpiperidin-1-yl)propoxy]benzonitrile
CID 102676445
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine?
The IUPAC name of 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine (CID 102964339) is 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine.
What is the SMILES notation for 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine?
The canonical SMILES for 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine is COC1CN(CCCCCCCl)CCC1C.
What is the InChIKey of 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine?
The InChIKey is WDWVPCQGNZKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-12-7-10-15(11-13(12)16-2)9-6-4-3-5-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine?
1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine has a molecular weight of 247.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine is sourced from PubChem (CID 102964339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).