N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide

C15H23N3O2 — CID 76949092

IUPACN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
SMILESNC(CC(c1ccccc1)N1CCC(CO)CC1)=NO
InChIInChI=1S/C15H23N3O2/c16-15(17-20)10-14(13-4-2-1-3-5-13)18-8-6-12(11-19)7-9-18/h1-5,12,14,19-20H,6-11H2,(H2,16,17)
InChIKeyLBMBVBRDOAODPT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds5

About N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide (PubChem CID 76949092) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
PubChem CID76949092
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
SMILESNC(CC(c1ccccc1)N1CCC(CO)CC1)=NO
InChIInChI=1S/C15H23N3O2/c16-15(17-20)10-14(13-4-2-1-3-5-13)18-8-6-12(11-19)7-9-18/h1-5,12,14,19-20H,6-11H2,(H2,16,17)
InChIKeyLBMBVBRDOAODPT-UHFFFAOYSA-N
XLogP1.57
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
CID 112625722
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-phenylpropanimidamide
CID 76981291
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
CID 55117730
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
CID 55117921
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949126
N'-hydroxy-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanimidamide
CID 102883736
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
CID 62780437
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 63067293

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide (CID 76949092) is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide is NC(CC(c1ccccc1)N1CCC(CO)CC1)=NO.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide?
The InChIKey is LBMBVBRDOAODPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(17-20)10-14(13-4-2-1-3-5-13)18-8-6-12(11-19)7-9-18/h1-5,12,14,19-20H,6-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide?
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide is sourced from PubChem (CID 76949092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).