cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate

C18H26N2O3 — CID 95802384

IUPACcyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)OC1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-17(23-16-6-2-1-3-7-16)14-20-11-8-18(22,9-12-20)15-5-4-10-19-13-15/h4-5,10,13,16,22H,1-3,6-9,11-12,14H2
InChIKeyFTPPRRCCNNDDNW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds4

About cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate

cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate (PubChem CID 95802384) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
PubChem CID95802384
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namecyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)OC1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-17(23-16-6-2-1-3-7-16)14-20-11-8-18(22,9-12-20)15-5-4-10-19-13-15/h4-5,10,13,16,22H,1-3,6-9,11-12,14H2
InChIKeyFTPPRRCCNNDDNW-UHFFFAOYSA-N
XLogP2.24
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The IUPAC name of cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate (CID 95802384) is cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The canonical SMILES for cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate is O=C(CN1CCC(O)(c2cccnc2)CC1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The InChIKey is FTPPRRCCNNDDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(23-16-6-2-1-3-7-16)14-20-11-8-18(22,9-12-20)15-5-4-10-19-13-15/h4-5,10,13,16,22H,1-3,6-9,11-12,14H2.
What are the key properties of cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate has a molecular weight of 318.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 95802384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).