(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone

C18H24BrNO2 — CID 46197008

IUPAC(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
InChIKeySMOCSSMOCXIMPM-IAGOWNOFSA-N
MW366.30 g/mol
LogP3.65
Rot. Bonds3

About (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone

(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone (PubChem CID 46197008) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone
PubChem CID46197008
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24BrNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
InChIKeySMOCSSMOCXIMPM-IAGOWNOFSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone (CID 46197008) is (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone is O=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone?
The InChIKey is SMOCSSMOCXIMPM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24BrNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1.
What are the key properties of (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone?
(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone has a molecular weight of 366.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone is sourced from PubChem (CID 46197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).