1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol

C10H20N2O — CID 21029887

IUPAC1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol
SMILES[CH2-][NH+]1CC(N2CCC(C)(O)CC2)C1
InChIInChI=1S/C10H20N2O/c1-10(13)3-5-12(6-4-10)9-7-11(2)8-9/h9,11,13H,2-8H2,1H3
InChIKeyNIJVPSGTAFSMLZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP-1.11
Rot. Bonds1

About 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol

1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol (PubChem CID 21029887) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol
PubChem CID21029887
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol
SMILES[CH2-][NH+]1CC(N2CCC(C)(O)CC2)C1
InChIInChI=1S/C10H20N2O/c1-10(13)3-5-12(6-4-10)9-7-11(2)8-9/h9,11,13H,2-8H2,1H3
InChIKeyNIJVPSGTAFSMLZ-UHFFFAOYSA-N
XLogP-1.11
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Azetidin-3-YL)-4-methylpiperidin-4-OL dihydrochloride
CID 72207726
4-[2-(Dimethylamino)ethyl]piperidin-4-ol
CID 84050274
1-(2-Aminoethyl)-4-methylpiperidin-4-ol dihydrochloride
CID 122164518
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol
CID 81096730
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methylpiperidin-4-ol
CID 81097476
1-(3-Amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol
CID 81097699
3-Ethyl-1-piperazin-1-ylpentan-3-ol
CID 12052552
1-Methyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol
CID 20137913
1-(Azetidin-3-yl)-4-methylpiperidin-4-ol
CID 21029908
4-(Methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
(S)-2-methyl-1-piperazin-2-yl-propan-2-ol
CID 45099480
4-Methyl-1-pyrrolidin-3-ylpiperidin-4-ol
CID 55275496

Frequently Asked Questions

What is the IUPAC name of 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol (CID 21029887) is 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol is [CH2-][NH+]1CC(N2CCC(C)(O)CC2)C1.
What is the InChIKey of 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol?
The InChIKey is NIJVPSGTAFSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(13)3-5-12(6-4-10)9-7-11(2)8-9/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol?
1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol has a molecular weight of 184.28 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methanidylazetidin-1-ium-3-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 21029887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).