2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

C12H23N3O — CID 81097015

IUPAC2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(C)(O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14/h16H,2-9H2,1H3,(H3,13,14)
InChIKeyNVZYRQBSQMNSJK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.94
Rot. Bonds4

About 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 81097015) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID81097015
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(C)(O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14/h16H,2-9H2,1H3,(H3,13,14)
InChIKeyNVZYRQBSQMNSJK-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[1-[(4-Methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492512
2-[1-[(4-Ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65493754
2-[1-[[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 65493991
2-[1-[(4-Hydroxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494369
2-[1-[[Ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 79386756
2-[1-[[(2-Hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
CID 79387566
5-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 81096798
5-(4-Hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 81097013
2-(4-Hydroxy-4-methylpiperidin-1-yl)ethanimidamide
CID 81097107
2-(4-Hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 81097434
4-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
3-(4-Hydroxy-4-methylpiperidin-1-yl)butanimidamide
CID 81097526

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 81097015) is 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC(C)(O)CC2)CC1.
What is the InChIKey of 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is NVZYRQBSQMNSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14/h16H,2-9H2,1H3,(H3,13,14).
What are the key properties of 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 225.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 81097015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).