2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride

C17H24BrClN2O — CID 119623852

IUPAC2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23BrN2O.ClH/c18-15-3-1-2-14(10-15)11-17(21)20-8-6-16(7-9-20)19-12-13-4-5-13;/h1-3,10,13,16,19H,4-9,11-12H2;1H
InChIKeyWNEDWAFQYIDBNI-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride

2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119623852) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119623852
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1cccc(Br)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23BrN2O.ClH/c18-15-3-1-2-14(10-15)11-17(21)20-8-6-16(7-9-20)19-12-13-4-5-13;/h1-3,10,13,16,19H,4-9,11-12H2;1H
InChIKeyWNEDWAFQYIDBNI-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119623707
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
1-[4-(2-bromoethoxy)piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 82701483
2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82691138
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119621646
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 119622352

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119623852) is 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1cccc(Br)c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is WNEDWAFQYIDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c18-15-3-1-2-14(10-15)11-17(21)20-8-6-16(7-9-20)19-12-13-4-5-13;/h1-3,10,13,16,19H,4-9,11-12H2;1H.
What are the key properties of 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride?
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119623852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).