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

C13H22F2N2O2 — CID 71293678

IUPAC[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)5-1-10(2-6-13)9-17-7-3-11(4-8-17)16-12(18)19/h10-11,16H,1-9H2,(H,18,19)
InChIKeyFMCZBBXHBOIEAZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.54
Rot. Bonds3

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

[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid (PubChem CID 71293678) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid
PubChem CID71293678
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)5-1-10(2-6-13)9-17-7-3-11(4-8-17)16-12(18)19/h10-11,16H,1-9H2,(H,18,19)
InChIKeyFMCZBBXHBOIEAZ-UHFFFAOYSA-N
XLogP2.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid (CID 71293678) is [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CC2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid?
The InChIKey is FMCZBBXHBOIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)5-1-10(2-6-13)9-17-7-3-11(4-8-17)16-12(18)19/h10-11,16H,1-9H2,(H,18,19).
What are the key properties of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid?
[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid has a molecular weight of 276.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 71293678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).