1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea

C10H22N4O — CID 117234697

IUPAC1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCCN)CC1
InChIInChI=1S/C10H22N4O/c1-14-6-2-9(3-7-14)8-13-10(15)12-5-4-11/h9H,2-8,11H2,1H3,(H2,12,13,15)
InChIKeyPXSUBUBCRDXTFQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.41
Rot. Bonds4

About 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea

1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 117234697) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID117234697
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCCN)CC1
InChIInChI=1S/C10H22N4O/c1-14-6-2-9(3-7-14)8-13-10(15)12-5-4-11/h9H,2-8,11H2,1H3,(H2,12,13,15)
InChIKeyPXSUBUBCRDXTFQ-UHFFFAOYSA-N
XLogP-0.41
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
7-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]heptanoic acid
CID 61206222
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 117234697) is 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)NCCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is PXSUBUBCRDXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-14-6-2-9(3-7-14)8-13-10(15)12-5-4-11/h9H,2-8,11H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 214.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 117234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).