[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride

C14H18BrClF2N2O — CID 119517716

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1.Cl
InChIInChI=1S/C14H17BrF2N2O.ClH/c1-8(18)9-2-4-19(5-3-9)14(20)13-11(16)6-10(15)7-12(13)17;/h6-9H,2-5,18H2,1H3;1H
InChIKeyVJPYGBCVOZQGNT-UHFFFAOYSA-N
MW383.66 g/mol
LogP3.35
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride (PubChem CID 119517716) has the molecular formula C14H18BrClF2N2O and a molecular weight of 383.66 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride
PubChem CID119517716
Molecular FormulaC14H18BrClF2N2O
Molecular Weight383.66 g/mol
Exact Mass382.03
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1.Cl
InChIInChI=1S/C14H17BrF2N2O.ClH/c1-8(18)9-2-4-19(5-3-9)14(20)13-11(16)6-10(15)7-12(13)17;/h6-9H,2-5,18H2,1H3;1H
InChIKeyVJPYGBCVOZQGNT-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022814
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride (CID 119517716) is [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride is CC(N)C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride?
The InChIKey is VJPYGBCVOZQGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O.ClH/c1-8(18)9-2-4-19(5-3-9)14(20)13-11(16)6-10(15)7-12(13)17;/h6-9H,2-5,18H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride has a molecular weight of 383.66 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119517716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).