1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea

C9H19N3O2 — CID 117234476

IUPAC1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C9H19N3O2/c1-12-5-2-8(3-6-12)11-9(14)10-4-7-13/h8,13H,2-7H2,1H3,(H2,10,11,14)
InChIKeyCWIJCPCSVFOMMA-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.63
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea

1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 117234476) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID117234476
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C9H19N3O2/c1-12-5-2-8(3-6-12)11-9(14)10-4-7-13/h8,13H,2-7H2,1H3,(H2,10,11,14)
InChIKeyCWIJCPCSVFOMMA-UHFFFAOYSA-N
XLogP-0.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 131065223
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 11645361
1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea (CID 117234476) is 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NCCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is CWIJCPCSVFOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12-5-2-8(3-6-12)11-9(14)10-4-7-13/h8,13H,2-7H2,1H3,(H2,10,11,14).
What are the key properties of 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea?
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 201.27 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 117234476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).