2-cycloheptyl-5-methoxypiperidine

C13H25NO — CID 105465440

IUPAC2-cycloheptyl-5-methoxypiperidine
SMILESCOC1CCC(C2CCCCCC2)NC1
InChIInChI=1S/C13H25NO/c1-15-12-8-9-13(14-10-12)11-6-4-2-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyNHEXHHJLJGKXLZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds2

About 2-cycloheptyl-5-methoxypiperidine

2-cycloheptyl-5-methoxypiperidine (PubChem CID 105465440) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cycloheptyl-5-methoxypiperidine.

Molecular Properties

Compound Name2-cycloheptyl-5-methoxypiperidine
PubChem CID105465440
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cycloheptyl-5-methoxypiperidine
SMILESCOC1CCC(C2CCCCCC2)NC1
InChIInChI=1S/C13H25NO/c1-15-12-8-9-13(14-10-12)11-6-4-2-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyNHEXHHJLJGKXLZ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylaziridine
CID 14342017
2-cyclohexyl-4-methoxypiperidine
CID 105451055
methoxycyclooctane
CID 551195
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol
CID 83915115
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 117272835
ethane;(5-methoxypiperidin-2-yl)methanol
CID 156651276
(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 92759205
2-cycloheptylpiperidine;hydrochloride
CID 115030388

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-methoxypiperidine?
The IUPAC name of 2-cycloheptyl-5-methoxypiperidine (CID 105465440) is 2-cycloheptyl-5-methoxypiperidine.
What is the SMILES notation for 2-cycloheptyl-5-methoxypiperidine?
The canonical SMILES for 2-cycloheptyl-5-methoxypiperidine is COC1CCC(C2CCCCCC2)NC1.
What is the InChIKey of 2-cycloheptyl-5-methoxypiperidine?
The InChIKey is NHEXHHJLJGKXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-15-12-8-9-13(14-10-12)11-6-4-2-3-5-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-cycloheptyl-5-methoxypiperidine?
2-cycloheptyl-5-methoxypiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-methoxypiperidine is sourced from PubChem (CID 105465440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).