[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid

C12H20F2N2O2 — CID 67193540

IUPAC[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H20F2N2O2/c13-12(14)5-1-10(2-6-12)16-7-3-9(4-8-16)15-11(17)18/h9-10,15H,1-8H2,(H,17,18)
InChIKeyMTVYOWHPPXPJJE-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.30
Rot. Bonds2

About [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid

[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid (PubChem CID 67193540) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid
PubChem CID67193540
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H20F2N2O2/c13-12(14)5-1-10(2-6-12)16-7-3-9(4-8-16)15-11(17)18/h9-10,15H,1-8H2,(H,17,18)
InChIKeyMTVYOWHPPXPJJE-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]carbamic acid
CID 18425492
[(1S,5R)-5-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
CID 67491194
(3-Fluoropiperidin-4-yl)carbamic acid
CID 68560068
[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560071
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
[(3S,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68602908
[(3R,4R)-3-fluoropiperidin-4-yl]carbamic acid
CID 68602912
[1-(1-Fluorobutyl)piperidin-4-yl]carbamic acid
CID 68800969
1-Fluorobutyl(piperidin-4-yl)carbamic acid
CID 68804609
[2-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 69089254
4-(4,4,4-Trifluorobutylamino)piperidine-1-carboxylic acid
CID 69774226
[1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid
CID 71293678

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid (CID 67193540) is [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid?
The InChIKey is MTVYOWHPPXPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c13-12(14)5-1-10(2-6-12)16-7-3-9(4-8-16)15-11(17)18/h9-10,15H,1-8H2,(H,17,18).
What are the key properties of [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid?
[1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid has a molecular weight of 262.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).