N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide

C16H26N4O — CID 114515915

IUPACN'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCN1CCC(CCNCc2ccccc2/C(N)=N/O)CC1
InChIInChI=1S/C16H26N4O/c1-20-10-7-13(8-11-20)6-9-18-12-14-4-2-3-5-15(14)16(17)19-21/h2-5,13,18,21H,6-12H2,1H3,(H2,17,19)
InChIKeyUWGWZAYLCUXVRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.60
Rot. Bonds6

About N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide (PubChem CID 114515915) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
PubChem CID114515915
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCN1CCC(CCNCc2ccccc2/C(N)=N/O)CC1
InChIInChI=1S/C16H26N4O/c1-20-10-7-13(8-11-20)6-9-18-12-14-4-2-3-5-15(14)16(17)19-21/h2-5,13,18,21H,6-12H2,1H3,(H2,17,19)
InChIKeyUWGWZAYLCUXVRO-UHFFFAOYSA-N
XLogP1.60
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N-[[2-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]benzenecarboximidamide
CID 77030623
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
N-[2-[[2-(N'-hydroxycarbamimidoyl)phenyl]methylamino]ethyl]acetamide
CID 77027555
2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025252
2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515863
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 77031315
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide (CID 114515915) is N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide is CN1CCC(CCNCc2ccccc2/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide?
The InChIKey is UWGWZAYLCUXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20-10-7-13(8-11-20)6-9-18-12-14-4-2-3-5-15(14)16(17)19-21/h2-5,13,18,21H,6-12H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 114515915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).