(4-hydroxy-1-methylpiperidin-4-yl)methylurea

C8H17N3O2 — CID 67593720

IUPAC(4-hydroxy-1-methylpiperidin-4-yl)methylurea
SMILESCN1CCC(O)(CNC(N)=O)CC1
InChIInChI=1S/C8H17N3O2/c1-11-4-2-8(13,3-5-11)6-10-7(9)12/h13H,2-6H2,1H3,(H3,9,10,12)
InChIKeyZMFMFZWHJQPEGP-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.89
Rot. Bonds2

About (4-hydroxy-1-methylpiperidin-4-yl)methylurea

(4-hydroxy-1-methylpiperidin-4-yl)methylurea (PubChem CID 67593720) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4-hydroxy-1-methylpiperidin-4-yl)methylurea.

Molecular Properties

Compound Name(4-hydroxy-1-methylpiperidin-4-yl)methylurea
PubChem CID67593720
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(4-hydroxy-1-methylpiperidin-4-yl)methylurea
SMILESCN1CCC(O)(CNC(N)=O)CC1
InChIInChI=1S/C8H17N3O2/c1-11-4-2-8(13,3-5-11)6-10-7(9)12/h13H,2-6H2,1H3,(H3,9,10,12)
InChIKeyZMFMFZWHJQPEGP-UHFFFAOYSA-N
XLogP-0.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
4-(aminooxymethyl)-1-methylpiperidin-4-ol
CID 105431438
[2-(4-hydroxy-1-methylpiperidin-4-yl)acetyl]azanide;vanadium
CID 176949027
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-2-trimethylsilylfuran-3-carboxamide
CID 166375841
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-(4-methoxy-3,5-dimethylphenyl)urea
CID 72841080
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111538987
1-azabicyclo[2.2.1]heptan-4-ylmethylurea
CID 170615784
N-carbamoyl-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163606

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methylpiperidin-4-yl)methylurea?
The IUPAC name of (4-hydroxy-1-methylpiperidin-4-yl)methylurea (CID 67593720) is (4-hydroxy-1-methylpiperidin-4-yl)methylurea.
What is the SMILES notation for (4-hydroxy-1-methylpiperidin-4-yl)methylurea?
The canonical SMILES for (4-hydroxy-1-methylpiperidin-4-yl)methylurea is CN1CCC(O)(CNC(N)=O)CC1.
What is the InChIKey of (4-hydroxy-1-methylpiperidin-4-yl)methylurea?
The InChIKey is ZMFMFZWHJQPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11-4-2-8(13,3-5-11)6-10-7(9)12/h13H,2-6H2,1H3,(H3,9,10,12).
What are the key properties of (4-hydroxy-1-methylpiperidin-4-yl)methylurea?
(4-hydroxy-1-methylpiperidin-4-yl)methylurea has a molecular weight of 187.24 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methylpiperidin-4-yl)methylurea is sourced from PubChem (CID 67593720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).