1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C18H29N3O2 — CID 110911642

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCc1ccccc1CO)N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,21-10-6-3-7-11-21)14-20-17(23)19-12-15-8-4-5-9-16(15)13-22/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3,(H2,19,20,23)
InChIKeyIBNSWGOQLRBBLZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.24
Rot. Bonds6

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 110911642) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID110911642
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCc1ccccc1CO)N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,21-10-6-3-7-11-21)14-20-17(23)19-12-15-8-4-5-9-16(15)13-22/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3,(H2,19,20,23)
InChIKeyIBNSWGOQLRBBLZ-UHFFFAOYSA-N
XLogP2.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 110622524
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111618380
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 47082340
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
CID 110353481
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 126435297
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840872
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111320619

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 110911642) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CC(C)(CNC(=O)NCc1ccccc1CO)N1CCCCC1.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is IBNSWGOQLRBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,21-10-6-3-7-11-21)14-20-17(23)19-12-15-8-4-5-9-16(15)13-22/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 110911642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).