N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide

C14H22N4O3 — CID 82015567

IUPACN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide
SMILESCc1ccnc(N2CCC(OCCO)CC2)c1/C(N)=N/O
InChIInChI=1S/C14H22N4O3/c1-10-2-5-16-14(12(10)13(15)17-20)18-6-3-11(4-7-18)21-9-8-19/h2,5,11,19-20H,3-4,6-9H2,1H3,(H2,15,17)
InChIKeyKAELEDJMVPXBCT-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.46
Rot. Bonds5

About N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide

N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide (PubChem CID 82015567) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide
PubChem CID82015567
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide
SMILESCc1ccnc(N2CCC(OCCO)CC2)c1/C(N)=N/O
InChIInChI=1S/C14H22N4O3/c1-10-2-5-16-14(12(10)13(15)17-20)18-6-3-11(4-7-18)21-9-8-19/h2,5,11,19-20H,3-4,6-9H2,1H3,(H2,15,17)
InChIKeyKAELEDJMVPXBCT-UHFFFAOYSA-N
XLogP0.46
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
CID 82691067
N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 102933018
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carbothioamide
CID 82696518
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693650
2-[1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82690899
2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
CID 82011421
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide (CID 82015567) is N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide is Cc1ccnc(N2CCC(OCCO)CC2)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide?
The InChIKey is KAELEDJMVPXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-2-5-16-14(12(10)13(15)17-20)18-6-3-11(4-7-18)21-9-8-19/h2,5,11,19-20H,3-4,6-9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide has a molecular weight of 294.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 82015567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).