1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea

C10H21N3O2 — CID 91351399

IUPAC1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)12(2)9-3-5-13(6-4-9)7-8-14/h9,14H,3-8H2,1-2H3,(H,11,15)
InChIKeyNDPMRNQWETVRRU-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.29
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea

1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea (PubChem CID 91351399) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
PubChem CID91351399
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(15)12(2)9-3-5-13(6-4-9)7-8-14/h9,14H,3-8H2,1-2H3,(H,11,15)
InChIKeyNDPMRNQWETVRRU-UHFFFAOYSA-N
XLogP-0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
1-cyclobutyl-1,3-dimethylurea
CID 66861755
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
N,2-dimethyl-3-(methylamino)-N-(1-propylpiperidin-4-yl)propanamide
CID 79201989
methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
CID 157028689
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
N-ethyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]acetamide
CID 66567335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea?
The IUPAC name of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea (CID 91351399) is 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea is CNC(=O)N(C)C1CCN(CCO)CC1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea?
The InChIKey is NDPMRNQWETVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11-10(15)12(2)9-3-5-13(6-4-9)7-8-14/h9,14H,3-8H2,1-2H3,(H,11,15).
What are the key properties of 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea?
1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea has a molecular weight of 215.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea is sourced from PubChem (CID 91351399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).