(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine

C9H13ClN2 — CID 130624671

IUPAC(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
SMILESClc1[nH]ccc1[C@@H]1CCCCN1
InChIInChI=1S/C9H13ClN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m0/s1
InChIKeyMVBXTQIYIHQWSN-QMMMGPOBSA-N
MW184.67 g/mol
LogP2.48
Rot. Bonds1

About (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine

(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine (PubChem CID 130624671) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
PubChem CID130624671
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
SMILESClc1[nH]ccc1[C@@H]1CCCCN1
InChIInChI=1S/C9H13ClN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m0/s1
InChIKeyMVBXTQIYIHQWSN-QMMMGPOBSA-N
XLogP2.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
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2-chloro-3-piperidin-2-ylphenol
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2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
CID 130612938
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
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2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(3-chloro-4-pyridinyl)azepane
CID 4542495

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine?
The IUPAC name of (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine (CID 130624671) is (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine.
What is the SMILES notation for (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine?
The canonical SMILES for (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine is Clc1[nH]ccc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine?
The InChIKey is MVBXTQIYIHQWSN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-9-7(4-6-12-9)8-3-1-2-5-11-8/h4,6,8,11-12H,1-3,5H2/t8-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine?
(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine has a molecular weight of 184.67 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 130624671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).