(1-formylpiperidin-4-yl)methylcarbamic acid

C8H14N2O3 — CID 156534111

IUPAC(1-formylpiperidin-4-yl)methylcarbamic acid
SMILESO=CN1CCC(CNC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c11-6-10-3-1-7(2-4-10)5-9-8(12)13/h6-7,9H,1-5H2,(H,12,13)
InChIKeyYCNPQAUXOBRWIA-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.12
Rot. Bonds3

About (1-formylpiperidin-4-yl)methylcarbamic acid

(1-formylpiperidin-4-yl)methylcarbamic acid (PubChem CID 156534111) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1-formylpiperidin-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-formylpiperidin-4-yl)methylcarbamic acid
PubChem CID156534111
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(1-formylpiperidin-4-yl)methylcarbamic acid
SMILESO=CN1CCC(CNC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c11-6-10-3-1-7(2-4-10)5-9-8(12)13/h6-7,9H,1-5H2,(H,12,13)
InChIKeyYCNPQAUXOBRWIA-UHFFFAOYSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
CID 22313268
[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid
CID 130277576
4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 7330460
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(bromomethyl)piperidine-1-carbaldehyde
CID 19812293
(1-formylpiperidin-3-yl)methylurea
CID 64990728
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
4-(hydroxymethyl)piperidine-1-carbaldehyde;2-methoxy-2-methylpropane
CID 143881000
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
[4-[(E)-3-chloroprop-1-enyl]cyclohexyl]methylcarbamic acid
CID 141050171
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694

Frequently Asked Questions

What is the IUPAC name of (1-formylpiperidin-4-yl)methylcarbamic acid?
The IUPAC name of (1-formylpiperidin-4-yl)methylcarbamic acid (CID 156534111) is (1-formylpiperidin-4-yl)methylcarbamic acid.
What is the SMILES notation for (1-formylpiperidin-4-yl)methylcarbamic acid?
The canonical SMILES for (1-formylpiperidin-4-yl)methylcarbamic acid is O=CN1CCC(CNC(=O)O)CC1.
What is the InChIKey of (1-formylpiperidin-4-yl)methylcarbamic acid?
The InChIKey is YCNPQAUXOBRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-6-10-3-1-7(2-4-10)5-9-8(12)13/h6-7,9H,1-5H2,(H,12,13).
What are the key properties of (1-formylpiperidin-4-yl)methylcarbamic acid?
(1-formylpiperidin-4-yl)methylcarbamic acid has a molecular weight of 186.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylpiperidin-4-yl)methylcarbamic acid is sourced from PubChem (CID 156534111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).