4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride

C15H24Cl2FN3O — CID 155823381

IUPAC4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)N2CCC(CCN)CC2)cc1F.Cl.Cl
InChIInChI=1S/C15H22FN3O.2ClH/c1-11-2-3-13(10-14(11)16)18-15(20)19-8-5-12(4-7-17)6-9-19;;/h2-3,10,12H,4-9,17H2,1H3,(H,18,20);2*1H
InChIKeyYHUVNUBQXKCLNV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.57
Rot. Bonds3

About 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride

4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride (PubChem CID 155823381) has the molecular formula C15H24Cl2FN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
PubChem CID155823381
Molecular FormulaC15H24Cl2FN3O
Molecular Weight352.28 g/mol
Exact Mass351.13
IUPAC Name4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)N2CCC(CCN)CC2)cc1F.Cl.Cl
InChIInChI=1S/C15H22FN3O.2ClH/c1-11-2-3-13(10-14(11)16)18-15(20)19-8-5-12(4-7-17)6-9-19;;/h2-3,10,12H,4-9,17H2,1H3,(H,18,20);2*1H
InChIKeyYHUVNUBQXKCLNV-UHFFFAOYSA-N
XLogP3.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903717
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride (CID 155823381) is 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride is Cc1ccc(NC(=O)N2CCC(CCN)CC2)cc1F.Cl.Cl.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride?
The InChIKey is YHUVNUBQXKCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.2ClH/c1-11-2-3-13(10-14(11)16)18-15(20)19-8-5-12(4-7-17)6-9-19;;/h2-3,10,12H,4-9,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride?
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride has a molecular weight of 352.28 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 155823381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).