1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C12H25N3O2 — CID 110894137

IUPAC1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)9-15-6-3-11(4-7-15)14-12(17)13-5-8-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyZPTNUGBEWMSDCC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.40
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 110894137) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID110894137
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)9-15-6-3-11(4-7-15)14-12(17)13-5-8-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyZPTNUGBEWMSDCC-UHFFFAOYSA-N
XLogP0.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111618471
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 87000361
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111722272
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 110894137) is 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is ZPTNUGBEWMSDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)9-15-6-3-11(4-7-15)14-12(17)13-5-8-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 243.35 g/mol, XLogP of 0.40, 5 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-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 110894137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).