4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine

C14H24N2 — CID 82494191

IUPAC4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine
SMILESCc1cc(C2CCNCC2)c(C)n1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)16-11(3)9-14(12(16)4)13-5-7-15-8-6-13/h9-10,13,15H,5-8H2,1-4H3
InChIKeyROALQZRCYMRBHS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.15
Rot. Bonds2

About 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine

4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine (PubChem CID 82494191) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine
PubChem CID82494191
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine
SMILESCc1cc(C2CCNCC2)c(C)n1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)16-11(3)9-14(12(16)4)13-5-7-15-8-6-13/h9-10,13,15H,5-8H2,1-4H3
InChIKeyROALQZRCYMRBHS-UHFFFAOYSA-N
XLogP3.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine?
The IUPAC name of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine (CID 82494191) is 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine.
What is the SMILES notation for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine?
The canonical SMILES for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine is Cc1cc(C2CCNCC2)c(C)n1C(C)C.
What is the InChIKey of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine?
The InChIKey is ROALQZRCYMRBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)16-11(3)9-14(12(16)4)13-5-7-15-8-6-13/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine?
4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine has a molecular weight of 220.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine is sourced from PubChem (CID 82494191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).