1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine

C12H24N2 — CID 3445538

IUPAC1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
SMILESCCC1CCNC1CN1CCCCC1
InChIInChI=1S/C12H24N2/c1-2-11-6-7-13-12(11)10-14-8-4-3-5-9-14/h11-13H,2-10H2,1H3
InChIKeySWZGIPABGZFSBO-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine

1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine (PubChem CID 3445538) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
PubChem CID3445538
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
SMILESCCC1CCNC1CN1CCCCC1
InChIInChI=1S/C12H24N2/c1-2-11-6-7-13-12(11)10-14-8-4-3-5-9-14/h11-13H,2-10H2,1H3
InChIKeySWZGIPABGZFSBO-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylpyrrolidin-3-yl)methyl]azocane
CID 79385329
(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carbaldehyde
CID 22872479
2-(cyclohexylmethyl)-3-ethylpyrrolidine
CID 4299051
2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
(2S,3S)-2,3-diethylpiperidine
CID 89278402
1-methyl-4-[(3-methylpyrrolidin-2-yl)methyl]-1,4-diazepane
CID 102775567
1-[(3-methylpyrrolidin-2-yl)methyl]-4-propylpiperidine
CID 102775923
1-ethyl-2-(3-ethylpyrrolidin-2-yl)piperidine
CID 5243935
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpiperidine;propane
CID 143653277
1-[2-(3-methylpyrrolidin-2-yl)ethyl]piperidine
CID 5042776

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine?
The IUPAC name of 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine (CID 3445538) is 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine is CCC1CCNC1CN1CCCCC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine?
The InChIKey is SWZGIPABGZFSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-11-6-7-13-12(11)10-14-8-4-3-5-9-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine?
1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine is sourced from PubChem (CID 3445538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).