1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride

C15H21BrClNO — CID 2978552

IUPAC1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCCN(CCC(=O)c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C15H20BrNO.ClH/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13;/h4-7,12H,2-3,8-11H2,1H3;1H
InChIKeyRQUVLSVCSUHHMM-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride

1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 2978552) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID2978552
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCCN(CCC(=O)c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C15H20BrNO.ClH/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13;/h4-7,12H,2-3,8-11H2,1H3;1H
InChIKeyRQUVLSVCSUHHMM-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride (CID 2978552) is 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride is CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is RQUVLSVCSUHHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO.ClH/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13;/h4-7,12H,2-3,8-11H2,1H3;1H.
What are the key properties of 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 346.70 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 2978552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).