1-(3-methylheptan-3-yl)piperidine

C13H27N — CID 154999026

IUPAC1-(3-methylheptan-3-yl)piperidine
SMILESCCCCC(C)(CC)N1CCCCC1
InChIInChI=1S/C13H27N/c1-4-6-10-13(3,5-2)14-11-8-7-9-12-14/h4-12H2,1-3H3
InChIKeyWYGAKYSCQXZORS-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-methylheptan-3-yl)piperidine

1-(3-methylheptan-3-yl)piperidine (PubChem CID 154999026) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3-methylheptan-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-methylheptan-3-yl)piperidine
PubChem CID154999026
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3-methylheptan-3-yl)piperidine
SMILESCCCCC(C)(CC)N1CCCCC1
InChIInChI=1S/C13H27N/c1-4-6-10-13(3,5-2)14-11-8-7-9-12-14/h4-12H2,1-3H3
InChIKeyWYGAKYSCQXZORS-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptan-3-yl)piperidine?
The IUPAC name of 1-(3-methylheptan-3-yl)piperidine (CID 154999026) is 1-(3-methylheptan-3-yl)piperidine.
What is the SMILES notation for 1-(3-methylheptan-3-yl)piperidine?
The canonical SMILES for 1-(3-methylheptan-3-yl)piperidine is CCCCC(C)(CC)N1CCCCC1.
What is the InChIKey of 1-(3-methylheptan-3-yl)piperidine?
The InChIKey is WYGAKYSCQXZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-10-13(3,5-2)14-11-8-7-9-12-14/h4-12H2,1-3H3.
What are the key properties of 1-(3-methylheptan-3-yl)piperidine?
1-(3-methylheptan-3-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptan-3-yl)piperidine is sourced from PubChem (CID 154999026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).