(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride

C18H26ClFN2O — CID 166001112

IUPAC(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(C3CCNCC3)c2F)C1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13-4-3-11-21(12-13)18(22)16-6-2-5-15(17(16)19)14-7-9-20-10-8-14;/h2,5-6,13-14,20H,3-4,7-12H2,1H3;1H
InChIKeyQAXSEQKCGNOCOM-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.59
Rot. Bonds2

About (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride

(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 166001112) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID166001112
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(C3CCNCC3)c2F)C1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13-4-3-11-21(12-13)18(22)16-6-2-5-15(17(16)19)14-7-9-20-10-8-14;/h2,5-6,13-14,20H,3-4,7-12H2,1H3;1H
InChIKeyQAXSEQKCGNOCOM-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 166001125
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171362081
(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001116
(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361860
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride (CID 166001112) is (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCN(C(=O)c2cccc(C3CCNCC3)c2F)C1.Cl.
What is the InChIKey of (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is QAXSEQKCGNOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-13-4-3-11-21(12-13)18(22)16-6-2-5-15(17(16)19)14-7-9-20-10-8-14;/h2,5-6,13-14,20H,3-4,7-12H2,1H3;1H.
What are the key properties of (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 166001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).