4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine

C13H26N2 — CID 117258195

IUPAC4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine
SMILESCCN1CCC(C2CCNC(C)(C)C2)C1
InChIInChI=1S/C13H26N2/c1-4-15-8-6-12(10-15)11-5-7-14-13(2,3)9-11/h11-12,14H,4-10H2,1-3H3
InChIKeyVACFDAHLORUVAK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds2

About 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine

4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine (PubChem CID 117258195) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine
PubChem CID117258195
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine
SMILESCCN1CCC(C2CCNC(C)(C)C2)C1
InChIInChI=1S/C13H26N2/c1-4-15-8-6-12(10-15)11-5-7-14-13(2,3)9-11/h11-12,14H,4-10H2,1-3H3
InChIKeyVACFDAHLORUVAK-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(pyrrolidin-3-yl)piperidine
CID 64434666
3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
2,2,4,6-Tetramethylpiperidine
CID 95439
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanamine
CID 4005925
1-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 51723276
2-Methyl-2,6-diazaspiro[4.5]decane
CID 55264586
8-Methyl-1,8-diazaspiro(4.5)decane
CID 57695054
4-Methyl-4-(pyrrolidin-1-yl)piperidine
CID 59352900
4-[3-(Pyrrolidin-1-yl)propyl]piperidine
CID 62211827
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593
2-Methyl-2-(2-methylpropyl)pyrrolidine
CID 66466212
1-Methyl-1,8-diazaspiro[4.5]decane dihydrochloride
CID 71757985

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine?
The IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine (CID 117258195) is 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine.
What is the SMILES notation for 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine?
The canonical SMILES for 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine is CCN1CCC(C2CCNC(C)(C)C2)C1.
What is the InChIKey of 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine?
The InChIKey is VACFDAHLORUVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-15-8-6-12(10-15)11-5-7-14-13(2,3)9-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine?
4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine is sourced from PubChem (CID 117258195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).