(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C17H25BrClN3O — CID 119931058

IUPAC(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Br)cc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H24BrN3O.ClH/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14;/h1-4,14,19H,5-13H2;1H
InChIKeyQZOFSRVNCUIWMO-UHFFFAOYSA-N
MW402.76 g/mol
LogP2.63
Rot. Bonds3

About (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119931058) has the molecular formula C17H25BrClN3O and a molecular weight of 402.76 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119931058
Molecular FormulaC17H25BrClN3O
Molecular Weight402.76 g/mol
Exact Mass401.09
IUPAC Name(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(Br)cc1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H24BrN3O.ClH/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14;/h1-4,14,19H,5-13H2;1H
InChIKeyQZOFSRVNCUIWMO-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 119930739
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
CID 120853962
[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930139
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119931058) is (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccc(Br)cc1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is QZOFSRVNCUIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O.ClH/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14;/h1-4,14,19H,5-13H2;1H.
What are the key properties of (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 402.76 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119931058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).