(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

C19H28ClFN2O — CID 119296760

IUPAC(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCCC1
InChIInChI=1S/C19H27FN2O.ClH/c20-17-6-4-5-16(14-17)13-15-7-11-22(12-8-15)18(23)19(21)9-2-1-3-10-19;/h4-6,14-15H,1-3,7-13,21H2;1H
InChIKeyAPHSKWLUEGOXPG-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.69
Rot. Bonds3

About (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 119296760) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID119296760
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC Name(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCCC1
InChIInChI=1S/C19H27FN2O.ClH/c20-17-6-4-5-16(14-17)13-15-7-11-22(12-8-15)18(23)19(21)9-2-1-3-10-19;/h4-6,14-15H,1-3,7-13,21H2;1H
InChIKeyAPHSKWLUEGOXPG-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-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

(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 154864233
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (CID 119296760) is (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is APHSKWLUEGOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O.ClH/c20-17-6-4-5-16(14-17)13-15-7-11-22(12-8-15)18(23)19(21)9-2-1-3-10-19;/h4-6,14-15H,1-3,7-13,21H2;1H.
What are the key properties of (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119296760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).