2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one

C18H24BrNO — CID 619946

IUPAC2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C18H24BrNO/c19-15-10-8-14(9-11-15)18(20-12-4-1-5-13-20)16-6-2-3-7-17(16)21/h8-11,16,18H,1-7,12-13H2
InChIKeyJRHQOIJKGCWDCR-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.74
Rot. Bonds3

About 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one

2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one (PubChem CID 619946) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one
PubChem CID619946
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C18H24BrNO/c19-15-10-8-14(9-11-15)18(20-12-4-1-5-13-20)16-6-2-3-7-17(16)21/h8-11,16,18H,1-7,12-13H2
InChIKeyJRHQOIJKGCWDCR-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one?
The IUPAC name of 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one (CID 619946) is 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one?
The canonical SMILES for 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one is O=C1CCCCC1C(c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one?
The InChIKey is JRHQOIJKGCWDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c19-15-10-8-14(9-11-15)18(20-12-4-1-5-13-20)16-6-2-3-7-17(16)21/h8-11,16,18H,1-7,12-13H2.
What are the key properties of 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one?
2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one has a molecular weight of 350.30 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-piperidin-1-ylmethyl]cyclohexan-1-one is sourced from PubChem (CID 619946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).