1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine

C14H28N2 — CID 110876288

IUPAC1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine
SMILESCC(C)CCN1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H28N2/c1-12(2)4-8-16-9-5-13(6-10-16)14-3-7-15-11-14/h12-15H,3-11H2,1-2H3
InChIKeySBAYZLLZJXROIY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine

1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine (PubChem CID 110876288) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine
PubChem CID110876288
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine
SMILESCC(C)CCN1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H28N2/c1-12(2)4-8-16-9-5-13(6-10-16)14-3-7-15-11-14/h12-15H,3-11H2,1-2H3
InChIKeySBAYZLLZJXROIY-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine (CID 110876288) is 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine is CC(C)CCN1CCC(C2CCNC2)CC1.
What is the InChIKey of 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine?
The InChIKey is SBAYZLLZJXROIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)4-8-16-9-5-13(6-10-16)14-3-7-15-11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine?
1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 110876288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).