3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

C17H26BrClN2O — CID 119647509

IUPAC3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)CCc2ccccc2Br)CC1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-2-19-13-14-9-11-20(12-10-14)17(21)8-7-15-5-3-4-6-16(15)18;/h3-6,14,19H,2,7-13H2,1H3;1H
InChIKeyKHGXLJPJFKGUDA-UHFFFAOYSA-N
MW389.77 g/mol
LogP3.65
Rot. Bonds6

About 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119647509) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119647509
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC Name3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)CCc2ccccc2Br)CC1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-2-19-13-14-9-11-20(12-10-14)17(21)8-7-15-5-3-4-6-16(15)18;/h3-6,14,19H,2,7-13H2,1H3;1H
InChIKeyKHGXLJPJFKGUDA-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647221
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
N-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935464
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
3-(2-bromophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616380
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119647509) is 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is CCNCC1CCN(C(=O)CCc2ccccc2Br)CC1.Cl.
What is the InChIKey of 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is KHGXLJPJFKGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O.ClH/c1-2-19-13-14-9-11-20(12-10-14)17(21)8-7-15-5-3-4-6-16(15)18;/h3-6,14,19H,2,7-13H2,1H3;1H.
What are the key properties of 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119647509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).