cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone

C15H27NO2 — CID 166647702

IUPACcyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC[C@@H]1CCCO
InChIInChI=1S/C15H27NO2/c17-12-6-10-14-9-4-5-11-16(14)15(18)13-7-2-1-3-8-13/h13-14,17H,1-12H2/t14-/m1/s1
InChIKeySDUVSDINTQXNAL-CQSZACIVSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds4

About cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone

cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 166647702) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID166647702
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namecyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC[C@@H]1CCCO
InChIInChI=1S/C15H27NO2/c17-12-6-10-14-9-4-5-11-16(14)15(18)13-7-2-1-3-8-13/h13-14,17H,1-12H2/t14-/m1/s1
InChIKeySDUVSDINTQXNAL-CQSZACIVSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone (CID 166647702) is cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC[C@@H]1CCCO.
What is the InChIKey of cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is SDUVSDINTQXNAL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27NO2/c17-12-6-10-14-9-4-5-11-16(14)15(18)13-7-2-1-3-8-13/h13-14,17H,1-12H2/t14-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone?
cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-(3-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166647702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).