(3S)-3-(1-ethylpyrrol-2-yl)piperidine

C11H18N2 — CID 125425376

IUPAC(3S)-3-(1-ethylpyrrol-2-yl)piperidine
SMILESCCn1cccc1[C@H]1CCCNC1
InChIInChI=1S/C11H18N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3/t10-/m0/s1
InChIKeyCRZAJLJAHNDZSQ-JTQLQIEISA-N
MW178.28 g/mol
LogP1.98
Rot. Bonds2

About (3S)-3-(1-ethylpyrrol-2-yl)piperidine

(3S)-3-(1-ethylpyrrol-2-yl)piperidine (PubChem CID 125425376) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3S)-3-(1-ethylpyrrol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(1-ethylpyrrol-2-yl)piperidine
PubChem CID125425376
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3S)-3-(1-ethylpyrrol-2-yl)piperidine
SMILESCCn1cccc1[C@H]1CCCNC1
InChIInChI=1S/C11H18N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3/t10-/m0/s1
InChIKeyCRZAJLJAHNDZSQ-JTQLQIEISA-N
XLogP1.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-ethylpyrrole
CID 150155525
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
CID 100589849
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-ethylpyrrol-2-yl)piperidine?
The IUPAC name of (3S)-3-(1-ethylpyrrol-2-yl)piperidine (CID 125425376) is (3S)-3-(1-ethylpyrrol-2-yl)piperidine.
What is the SMILES notation for (3S)-3-(1-ethylpyrrol-2-yl)piperidine?
The canonical SMILES for (3S)-3-(1-ethylpyrrol-2-yl)piperidine is CCn1cccc1[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(1-ethylpyrrol-2-yl)piperidine?
The InChIKey is CRZAJLJAHNDZSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(1-ethylpyrrol-2-yl)piperidine?
(3S)-3-(1-ethylpyrrol-2-yl)piperidine has a molecular weight of 178.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-ethylpyrrol-2-yl)piperidine is sourced from PubChem (CID 125425376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).