1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride

C8H18ClN3O — CID 134691041

IUPAC1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride
SMILESCNC(=O)NCC1CCNCC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-9-8(12)11-6-7-2-4-10-5-3-7;/h7,10H,2-6H2,1H3,(H2,9,11,12);1H
InChIKeyXIPUTZWRDLPJBE-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.34
Rot. Bonds2

About 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride

1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride (PubChem CID 134691041) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride
PubChem CID134691041
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride
SMILESCNC(=O)NCC1CCNCC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-9-8(12)11-6-7-2-4-10-5-3-7;/h7,10H,2-6H2,1H3,(H2,9,11,12);1H
InChIKeyXIPUTZWRDLPJBE-UHFFFAOYSA-N
XLogP0.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(Piperidin-4-yl)methyl]urea dihydrochloride
CID 45792244
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
1-(2-Methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 71868349
n-Butylpiperidine-1-carboxamide
CID 256864
(Piperidin-4-ylmethyl)urea
CID 19081831
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 4207227
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride (CID 134691041) is 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride is CNC(=O)NCC1CCNCC1.Cl.
What is the InChIKey of 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The InChIKey is XIPUTZWRDLPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-9-8(12)11-6-7-2-4-10-5-3-7;/h7,10H,2-6H2,1H3,(H2,9,11,12);1H.
What are the key properties of 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride?
1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-4-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 134691041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).