carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid

C10H19N3O5 — CID 68518607

IUPACcarbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid
SMILESNC(=O)O.O=C(O)N=CN1CCC(CCO)CC1
InChIInChI=1S/C9H16N2O3.CH3NO2/c12-6-3-8-1-4-11(5-2-8)7-10-9(13)14;2-1(3)4/h7-8,12H,1-6H2,(H,13,14);2H2,(H,3,4)
InChIKeyXRYAVFHJFLPYLD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.41
Rot. Bonds3

About carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid

carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid (PubChem CID 68518607) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid.

Molecular Properties

Compound Namecarbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid
PubChem CID68518607
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Namecarbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid
SMILESNC(=O)O.O=C(O)N=CN1CCC(CCO)CC1
InChIInChI=1S/C9H16N2O3.CH3NO2/c12-6-3-8-1-4-11(5-2-8)7-10-9(13)14;2-1(3)4/h7-8,12H,1-6H2,(H,13,14);2H2,(H,3,4)
InChIKeyXRYAVFHJFLPYLD-UHFFFAOYSA-N
XLogP0.41
TPSA136.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 7330460
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
CID 151002782
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 121200615
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
[3-(2-hydroxyethyl)cyclobutyl] carbamate
CID 175068010
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652

Frequently Asked Questions

What is the IUPAC name of carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid?
The IUPAC name of carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid (CID 68518607) is carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid.
What is the SMILES notation for carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid?
The canonical SMILES for carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid is NC(=O)O.O=C(O)N=CN1CCC(CCO)CC1.
What is the InChIKey of carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid?
The InChIKey is XRYAVFHJFLPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.CH3NO2/c12-6-3-8-1-4-11(5-2-8)7-10-9(13)14;2-1(3)4/h7-8,12H,1-6H2,(H,13,14);2H2,(H,3,4).
What are the key properties of carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid?
carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid has a molecular weight of 261.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;[4-(2-hydroxyethyl)piperidin-1-yl]methylidenecarbamic acid is sourced from PubChem (CID 68518607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).