[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride

C12H20Cl2N4O — CID 174440638

IUPAC[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
SMILESCl.Cl.NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H18N4O.2ClH/c13-12(17)15-10-4-7-16(8-5-10)9-11-3-1-2-6-14-11;;/h1-3,6,10H,4-5,7-9H2,(H3,13,15,17);2*1H
InChIKeyZHGAGYHBHCAYJG-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.56
Rot. Bonds3

About [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride

[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride (PubChem CID 174440638) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.22 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
PubChem CID174440638
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.22 g/mol
Exact Mass306.10
IUPAC Name[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
SMILESCl.Cl.NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H18N4O.2ClH/c13-12(17)15-10-4-7-16(8-5-10)9-11-3-1-2-6-14-11;;/h1-3,6,10H,4-5,7-9H2,(H3,13,15,17);2*1H
InChIKeyZHGAGYHBHCAYJG-UHFFFAOYSA-N
XLogP1.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 51090453
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
CID 75461600
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride?
The IUPAC name of [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride (CID 174440638) is [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride.
What is the SMILES notation for [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride?
The canonical SMILES for [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride is Cl.Cl.NC(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride?
The InChIKey is ZHGAGYHBHCAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c13-12(17)15-10-4-7-16(8-5-10)9-11-3-1-2-6-14-11;;/h1-3,6,10H,4-5,7-9H2,(H3,13,15,17);2*1H.
What are the key properties of [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride?
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride has a molecular weight of 307.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride is sourced from PubChem (CID 174440638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).