ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate

C14H21F2NO4 — CID 136539242

IUPACethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H21F2NO4/c1-2-21-12(19)13(20)5-7-17(8-6-13)11(18)10-3-4-14(15,16)9-10/h10,20H,2-9H2,1H3
InChIKeyIUHCRIJXMOOSMM-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.34
Rot. Bonds3

About ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate

ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate (PubChem CID 136539242) has the molecular formula C14H21F2NO4 and a molecular weight of 305.32 g/mol. Its IUPAC name is ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
PubChem CID136539242
Molecular FormulaC14H21F2NO4
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H21F2NO4/c1-2-21-12(19)13(20)5-7-17(8-6-13)11(18)10-3-4-14(15,16)9-10/h10,20H,2-9H2,1H3
InChIKeyIUHCRIJXMOOSMM-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
[4-(1-chloroethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226677
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 153329609
(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131008066
(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
CID 158542629
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
tert-butyl (3aS,6aS)-3a-(4-ethoxycarbonyl-4-hydroxypiperidine-1-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 100658635

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate (CID 136539242) is ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(C(=O)C2CCC(F)(F)C2)CC1.
What is the InChIKey of ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate?
The InChIKey is IUHCRIJXMOOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4/c1-2-21-12(19)13(20)5-7-17(8-6-13)11(18)10-3-4-14(15,16)9-10/h10,20H,2-9H2,1H3.
What are the key properties of ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate?
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate has a molecular weight of 305.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 136539242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).