(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C11H15ClN2O2 — CID 80706740

IUPAC(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C11H15ClN2O2/c1-11(16)2-4-14(5-3-11)10(15)9-6-8(12)7-13-9/h6-7,13,16H,2-5H2,1H3
InChIKeyUBJABILPUNXUAB-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.66
Rot. Bonds1

About (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80706740) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80706740
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C11H15ClN2O2/c1-11(16)2-4-14(5-3-11)10(15)9-6-8(12)7-13-9/h6-7,13,16H,2-5H2,1H3
InChIKeyUBJABILPUNXUAB-UHFFFAOYSA-N
XLogP1.66
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80706740) is (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(Cl)c[nH]2)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is UBJABILPUNXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(16)2-4-14(5-3-11)10(15)9-6-8(12)7-13-9/h6-7,13,16H,2-5H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 242.71 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80706740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).