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

C12H24N2 — CID 130522112

IUPAC(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
SMILESCCC1CCCN1C[C@H]1CCCNC1
InChIInChI=1S/C12H24N2/c1-2-12-6-4-8-14(12)10-11-5-3-7-13-9-11/h11-13H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyFJSZQMMVGDHUAE-PXYINDEMSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

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

(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 130522112) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
PubChem CID130522112
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
SMILESCCC1CCCN1C[C@H]1CCCNC1
InChIInChI=1S/C12H24N2/c1-2-12-6-4-8-14(12)10-11-5-3-7-13-9-11/h11-13H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyFJSZQMMVGDHUAE-PXYINDEMSA-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

(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
2-ethyl-1-(2-piperidin-3-ylethyl)piperidine;dihydrochloride
CID 56831677
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
CID 120850211
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 120855183
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199
3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
CID 82601495
(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
3-[[2-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120855567

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine (CID 130522112) is (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine is CCC1CCCN1C[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is FJSZQMMVGDHUAE-PXYINDEMSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-12-6-4-8-14(12)10-11-5-3-7-13-9-11/h11-13H,2-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine?
(3S)-3-[(2-ethylpyrrolidin-1-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 (3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 130522112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).