1-cyclobutyl-4,4-di(propan-2-yl)piperidine

C15H29N — CID 21068588

IUPAC1-cyclobutyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(C2CCC2)CC1
InChIInChI=1S/C15H29N/c1-12(2)15(13(3)4)8-10-16(11-9-15)14-6-5-7-14/h12-14H,5-11H2,1-4H3
InChIKeyZXRMZUQTENBAPN-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclobutyl-4,4-di(propan-2-yl)piperidine

1-cyclobutyl-4,4-di(propan-2-yl)piperidine (PubChem CID 21068588) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-cyclobutyl-4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4,4-di(propan-2-yl)piperidine
PubChem CID21068588
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-cyclobutyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(C2CCC2)CC1
InChIInChI=1S/C15H29N/c1-12(2)15(13(3)4)8-10-16(11-9-15)14-6-5-7-14/h12-14H,5-11H2,1-4H3
InChIKeyZXRMZUQTENBAPN-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4,4-di(propan-2-yl)piperidine?
The IUPAC name of 1-cyclobutyl-4,4-di(propan-2-yl)piperidine (CID 21068588) is 1-cyclobutyl-4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-cyclobutyl-4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1-cyclobutyl-4,4-di(propan-2-yl)piperidine is CC(C)C1(C(C)C)CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4,4-di(propan-2-yl)piperidine?
The InChIKey is ZXRMZUQTENBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(2)15(13(3)4)8-10-16(11-9-15)14-6-5-7-14/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-cyclobutyl-4,4-di(propan-2-yl)piperidine?
1-cyclobutyl-4,4-di(propan-2-yl)piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 21068588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).