(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C12H17ClN2O2 — CID 43422200

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-7-10(13)5-11(14)12(17)15-4-2-3-9(6-15)8-16/h5,7,9,16H,2-4,6,8H2,1H3
InChIKeyBGOAVYREMJQQGU-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.52
Rot. Bonds2

About (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422200) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422200
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H17ClN2O2/c1-14-7-10(13)5-11(14)12(17)15-4-2-3-9(6-15)8-16/h5,7,9,16H,2-4,6,8H2,1H3
InChIKeyBGOAVYREMJQQGU-UHFFFAOYSA-N
XLogP1.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119487002
(4-chloro-1-methylpyrrol-2-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482980
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
2-[1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980614
(4-chloro-1-methylpyrrol-2-yl)-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137336230
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43644082
2-[1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690247
2-[acetyl-[(4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 129333193
(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563732
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 78084944
(4-chloro-1-methylpyrrol-2-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
CID 122132091

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422200) is (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cn1cc(Cl)cc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BGOAVYREMJQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14-7-10(13)5-11(14)12(17)15-4-2-3-9(6-15)8-16/h5,7,9,16H,2-4,6,8H2,1H3.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 256.73 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).