(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol

C14H19BrClNO — CID 66156284

IUPAC(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H19BrClNO/c1-2-9-5-6-17-13(7-9)14(18)11-8-10(16)3-4-12(11)15/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3
InChIKeyFQEYUUAJRREULK-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.91
Rot. Bonds3

About (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol

(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol (PubChem CID 66156284) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
PubChem CID66156284
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H19BrClNO/c1-2-9-5-6-17-13(7-9)14(18)11-8-10(16)3-4-12(11)15/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3
InChIKeyFQEYUUAJRREULK-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-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 (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The IUPAC name of (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol (CID 66156284) is (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol is CCC1CCNC(C(O)c2cc(Cl)ccc2Br)C1.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol?
The InChIKey is FQEYUUAJRREULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-2-9-5-6-17-13(7-9)14(18)11-8-10(16)3-4-12(11)15/h3-4,8-9,13-14,17-18H,2,5-7H2,1H3.
What are the key properties of (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol?
(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol has a molecular weight of 332.67 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol is sourced from PubChem (CID 66156284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).