N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

C14H27N3O2 — CID 77071383

IUPACN'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCCCOC1CCCN(CC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-2-8-19-12-4-3-7-17(10-12)11-14(5-6-14)9-13(15)16-18/h12,18H,2-11H2,1H3,(H2,15,16)
InChIKeyLPPVYGLYFQGRJR-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.79
Rot. Bonds7

About N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071383) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID77071383
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCCCOC1CCCN(CC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-2-8-19-12-4-3-7-17(10-12)11-14(5-6-14)9-13(15)16-18/h12,18H,2-11H2,1H3,(H2,15,16)
InChIKeyLPPVYGLYFQGRJR-UHFFFAOYSA-N
XLogP1.79
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
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

1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 63129663
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
4-[(3-propoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391625
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559
N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62272445
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
N'-hydroxy-2-(3-propoxypiperidin-1-yl)butanimidamide
CID 76915742

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 77071383) is N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is CCCOC1CCCN(CC2(CC(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is LPPVYGLYFQGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-8-19-12-4-3-7-17(10-12)11-14(5-6-14)9-13(15)16-18/h12,18H,2-11H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 269.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).