[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride

C15H21ClF2N2O — CID 119593124

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(C)N)C2)c(F)cc1F.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-9-6-12(14(17)7-13(9)16)15(20)19-5-3-4-11(8-19)10(2)18;/h6-7,10-11H,3-5,8,18H2,1-2H3;1H
InChIKeySYVHSTGEZNXLQD-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.89
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride (PubChem CID 119593124) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.80 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
PubChem CID119593124
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(C)N)C2)c(F)cc1F.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-9-6-12(14(17)7-13(9)16)15(20)19-5-3-4-11(8-19)10(2)18;/h6-7,10-11H,3-5,8,18H2,1-2H3;1H
InChIKeySYVHSTGEZNXLQD-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)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

[3-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-4-(4-methylphenyl)phenyl]methanone;hydrochloride
CID 119593064
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 100639344
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
[3-(1-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112375
[4-(1-bromoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 106839331
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119594478

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride (CID 119593124) is [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride is Cc1cc(C(=O)N2CCCC(C(C)N)C2)c(F)cc1F.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride?
The InChIKey is SYVHSTGEZNXLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-9-6-12(14(17)7-13(9)16)15(20)19-5-3-4-11(8-19)10(2)18;/h6-7,10-11H,3-5,8,18H2,1-2H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119593124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).