2-(cycloheptylmethyl)piperidine

C13H25N — CID 79006754

IUPAC2-(cycloheptylmethyl)piperidine
SMILESC1CCCC(CC2CCCCN2)CC1
InChIInChI=1S/C13H25N/c1-2-4-8-12(7-3-1)11-13-9-5-6-10-14-13/h12-14H,1-11H2
InChIKeyGJWBWELLAZJMBW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.49
Rot. Bonds2

About 2-(cycloheptylmethyl)piperidine

2-(cycloheptylmethyl)piperidine (PubChem CID 79006754) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)piperidine.

Molecular Properties

Compound Name2-(cycloheptylmethyl)piperidine
PubChem CID79006754
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(cycloheptylmethyl)piperidine
SMILESC1CCCC(CC2CCCCN2)CC1
InChIInChI=1S/C13H25N/c1-2-4-8-12(7-3-1)11-13-9-5-6-10-14-13/h12-14H,1-11H2
InChIKeyGJWBWELLAZJMBW-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-[(3,5-dimethylcyclohexyl)methyl]piperidine
CID 64731136
[(2S)-azepan-2-yl]methanol
CID 870731
2-(fluoromethyl)azocane
CID 170142115
2-(thietan-3-ylmethyl)pyrrolidine
CID 83905279
2-(oxiran-2-ylmethyl)piperidine
CID 175333700
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
(3R)-3-(cyclohexylmethyl)morpholine
CID 132580034
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)piperidine?
The IUPAC name of 2-(cycloheptylmethyl)piperidine (CID 79006754) is 2-(cycloheptylmethyl)piperidine.
What is the SMILES notation for 2-(cycloheptylmethyl)piperidine?
The canonical SMILES for 2-(cycloheptylmethyl)piperidine is C1CCCC(CC2CCCCN2)CC1.
What is the InChIKey of 2-(cycloheptylmethyl)piperidine?
The InChIKey is GJWBWELLAZJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-4-8-12(7-3-1)11-13-9-5-6-10-14-13/h12-14H,1-11H2.
What are the key properties of 2-(cycloheptylmethyl)piperidine?
2-(cycloheptylmethyl)piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)piperidine is sourced from PubChem (CID 79006754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).