4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide

C15H23N3O2 — CID 82696529

IUPAC4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(OCCO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-15(17)13-3-1-12(2-4-13)11-18-7-5-14(6-8-18)20-10-9-19/h1-4,14,19H,5-11H2,(H3,16,17)
InChIKeyNACZTHHWDUXTSO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds6

About 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide

4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 82696529) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID82696529
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(OCCO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-15(17)13-3-1-12(2-4-13)11-18-7-5-14(6-8-18)20-10-9-19/h1-4,14,19H,5-11H2,(H3,16,17)
InChIKeyNACZTHHWDUXTSO-UHFFFAOYSA-N
XLogP0.94
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]pyridine-2-carboximidamide
CID 82695930
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696027
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
4-[[4-[3-(4-carbamimidoylphenoxy)propylamino]piperidin-1-yl]methyl]benzenecarboximidamide
CID 58996574
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
4-[[4-[3-(4-carbamimidoylphenoxy)propylamino]piperidin-1-yl]methyl]benzenecarboximidamide;hydrochloride
CID 67131795
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide (CID 82696529) is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(OCCO)CC2)cc1.
What is the InChIKey of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is NACZTHHWDUXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(17)13-3-1-12(2-4-13)11-18-7-5-14(6-8-18)20-10-9-19/h1-4,14,19H,5-11H2,(H3,16,17).
What are the key properties of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 82696529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).