3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine

C14H28N2 — CID 20785242

IUPAC3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESCC1CC(C)CN(C2CCN(C(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h11-14H,5-10H2,1-4H3
InChIKeyRLMFRAIJOGNKJE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds2

About 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine

3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine (PubChem CID 20785242) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
PubChem CID20785242
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESCC1CC(C)CN(C2CCN(C(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h11-14H,5-10H2,1-4H3
InChIKeyRLMFRAIJOGNKJE-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine (CID 20785242) is 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine is CC1CC(C)CN(C2CCN(C(C)C)C2)C1.
What is the InChIKey of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The InChIKey is RLMFRAIJOGNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)15-6-5-14(10-15)16-8-12(3)7-13(4)9-16/h11-14H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 20785242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).