1-(3-methylbutan-2-yl)piperidine

C10H21N — CID 12709913

IUPAC1-(3-methylbutan-2-yl)piperidine
SMILESCC(C)C(C)N1CCCCC1
InChIInChI=1S/C10H21N/c1-9(2)10(3)11-7-5-4-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyRQQWKBQVFZFCGA-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-methylbutan-2-yl)piperidine

1-(3-methylbutan-2-yl)piperidine (PubChem CID 12709913) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)piperidine
PubChem CID12709913
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-(3-methylbutan-2-yl)piperidine
SMILESCC(C)C(C)N1CCCCC1
InChIInChI=1S/C10H21N/c1-9(2)10(3)11-7-5-4-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyRQQWKBQVFZFCGA-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)piperidine?
The IUPAC name of 1-(3-methylbutan-2-yl)piperidine (CID 12709913) is 1-(3-methylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)piperidine?
The canonical SMILES for 1-(3-methylbutan-2-yl)piperidine is CC(C)C(C)N1CCCCC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)piperidine?
The InChIKey is RQQWKBQVFZFCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)10(3)11-7-5-4-6-8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)piperidine?
1-(3-methylbutan-2-yl)piperidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)piperidine is sourced from PubChem (CID 12709913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).