1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide

C17H23BrClNO — CID 10429391

IUPAC1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide
SMILESBr.O=C(CC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-6,13-14H,1-2,7-12H2;1H
InChIKeyNRXKEUGAMRRAND-UHFFFAOYSA-N
MW372.73 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide

1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide (PubChem CID 10429391) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide
PubChem CID10429391
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide
SMILESBr.O=C(CC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-6,13-14H,1-2,7-12H2;1H
InChIKeyNRXKEUGAMRRAND-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide?
The IUPAC name of 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide (CID 10429391) is 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide?
The canonical SMILES for 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide is Br.O=C(CC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide?
The InChIKey is NRXKEUGAMRRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO.BrH/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14;/h3-6,13-14H,1-2,7-12H2;1H.
What are the key properties of 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide?
1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide has a molecular weight of 372.73 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone;hydrobromide is sourced from PubChem (CID 10429391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).