[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid

C14H26N2O3 — CID 66741936

IUPAC[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
SMILESCOC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-14(7-3-12(19-2)4-8-14)16-9-5-11(6-10-16)15-13(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyRLFHXEGWJRFQEV-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.07
Rot. Bonds3

About [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid

[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid (PubChem CID 66741936) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
PubChem CID66741936
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
SMILESCOC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-14(7-3-12(19-2)4-8-14)16-9-5-11(6-10-16)15-13(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyRLFHXEGWJRFQEV-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid (CID 66741936) is [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid is COC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1.
What is the InChIKey of [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid?
The InChIKey is RLFHXEGWJRFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(7-3-12(19-2)4-8-14)16-9-5-11(6-10-16)15-13(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid?
[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid has a molecular weight of 270.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66741936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).