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

C18H26BrNO2 — CID 10384383

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H25NO2.BrH/c1-21-17-6-4-16(5-7-17)18(20)12-14-8-10-19(11-9-14)13-15-2-3-15;/h4-7,14-15H,2-3,8-13H2,1H3;1H
InChIKeyIQDPTOZPDGUMGF-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.97
Rot. Bonds6

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide (PubChem CID 10384383) has the molecular formula C18H26BrNO2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide
PubChem CID10384383
Molecular FormulaC18H26BrNO2
Molecular Weight368.32 g/mol
Exact Mass367.11
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H25NO2.BrH/c1-21-17-6-4-16(5-7-17)18(20)12-14-8-10-19(11-9-14)13-15-2-3-15;/h4-7,14-15H,2-3,8-13H2,1H3;1H
InChIKeyIQDPTOZPDGUMGF-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide (CID 10384383) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide is Br.COc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is IQDPTOZPDGUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.BrH/c1-21-17-6-4-16(5-7-17)18(20)12-14-8-10-19(11-9-14)13-15-2-3-15;/h4-7,14-15H,2-3,8-13H2,1H3;1H.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 368.32 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 10384383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).