[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol

C18H22ClFN2O — CID 57295810

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2cccn2Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H22ClFN2O/c1-21-10-7-13(8-11-21)18(23)17-6-3-9-22(17)12-14-15(19)4-2-5-16(14)20/h2-6,9,13,18,23H,7-8,10-12H2,1H3
InChIKeyCXZJXZQHMQNARD-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.70
Rot. Bonds4

About [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol

[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol (PubChem CID 57295810) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol
PubChem CID57295810
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2cccn2Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H22ClFN2O/c1-21-10-7-13(8-11-21)18(23)17-6-3-9-22(17)12-14-15(19)4-2-5-16(14)20/h2-6,9,13,18,23H,7-8,10-12H2,1H3
InChIKeyCXZJXZQHMQNARD-UHFFFAOYSA-N
XLogP3.70
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol (CID 57295810) is [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)c2cccn2Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol?
The InChIKey is CXZJXZQHMQNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O/c1-21-10-7-13(8-11-21)18(23)17-6-3-9-22(17)12-14-15(19)4-2-5-16(14)20/h2-6,9,13,18,23H,7-8,10-12H2,1H3.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol has a molecular weight of 336.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 57295810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).