2-cycloheptyl-3-methylpiperidine

C13H25N — CID 84720602

IUPAC2-cycloheptyl-3-methylpiperidine
SMILESCC1CCCNC1C1CCCCCC1
InChIInChI=1S/C13H25N/c1-11-7-6-10-14-13(11)12-8-4-2-3-5-9-12/h11-14H,2-10H2,1H3
InChIKeyGHYXYAGPBCZXRT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds1

About 2-cycloheptyl-3-methylpiperidine

2-cycloheptyl-3-methylpiperidine (PubChem CID 84720602) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-cycloheptyl-3-methylpiperidine.

Molecular Properties

Compound Name2-cycloheptyl-3-methylpiperidine
PubChem CID84720602
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-cycloheptyl-3-methylpiperidine
SMILESCC1CCCNC1C1CCCCCC1
InChIInChI=1S/C13H25N/c1-11-7-6-10-14-13(11)12-8-4-2-3-5-9-12/h11-14H,2-10H2,1H3
InChIKeyGHYXYAGPBCZXRT-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-methylpiperidine?
The IUPAC name of 2-cycloheptyl-3-methylpiperidine (CID 84720602) is 2-cycloheptyl-3-methylpiperidine.
What is the SMILES notation for 2-cycloheptyl-3-methylpiperidine?
The canonical SMILES for 2-cycloheptyl-3-methylpiperidine is CC1CCCNC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-methylpiperidine?
The InChIKey is GHYXYAGPBCZXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-7-6-10-14-13(11)12-8-4-2-3-5-9-12/h11-14H,2-10H2,1H3.
What are the key properties of 2-cycloheptyl-3-methylpiperidine?
2-cycloheptyl-3-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-methylpiperidine is sourced from PubChem (CID 84720602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).