N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide

C10H21N3O2 — CID 121202978

IUPACN'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
SMILESCCCC1CN(C/C(N)=N/O)CCC1O
InChIInChI=1S/C10H21N3O2/c1-2-3-8-6-13(5-4-9(8)14)7-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyJLOMPFKYXNLAJN-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.22
Rot. Bonds4

About N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide

N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide (PubChem CID 121202978) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
PubChem CID121202978
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
SMILESCCCC1CN(C/C(N)=N/O)CCC1O
InChIInChI=1S/C10H21N3O2/c1-2-3-8-6-13(5-4-9(8)14)7-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyJLOMPFKYXNLAJN-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.22
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-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129493815
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 129496379
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
CID 129496536
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide (CID 121202978) is N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide is CCCC1CN(C/C(N)=N/O)CCC1O.
What is the InChIKey of N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide?
The InChIKey is JLOMPFKYXNLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-3-8-6-13(5-4-9(8)14)7-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide is sourced from PubChem (CID 121202978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).