3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol

C9H18N2O — CID 20637163

IUPAC3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILES[H]/N=C(\CCO)N1CCC(C)CC1
InChIInChI=1S/C9H18N2O/c1-8-2-5-11(6-3-8)9(10)4-7-12/h8,10,12H,2-7H2,1H3/b10-9+
InChIKeyQGADQETWTVFCGK-MDZDMXLPSA-N
MW170.26 g/mol
LogP1.08
Rot. Bonds2

About 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol

3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 20637163) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID20637163
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILES[H]/N=C(\CCO)N1CCC(C)CC1
InChIInChI=1S/C9H18N2O/c1-8-2-5-11(6-3-8)9(10)4-7-12/h8,10,12H,2-7H2,1H3/b10-9+
InChIKeyQGADQETWTVFCGK-MDZDMXLPSA-N
XLogP1.08
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-Imino-2-(4-methylpiperidin-1-yl)ethanol
CID 20637111
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol
CID 54154578
3-Imino-3-piperidin-1-ylpropan-1-ol
CID 54350714
1-(2-Iminopiperidin-1-yl)propan-1-ol
CID 57294176
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol;hydrochloride
CID 67741134
(1-Ethanimidoylpiperidin-4-yl)methanediol
CID 142132193
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
1-(2-Hydroxyethyl)piperidine-4-carboximidamide
CID 144816606

Frequently Asked Questions

What is the IUPAC name of 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 20637163) is 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol is [H]/N=C(\CCO)N1CCC(C)CC1.
What is the InChIKey of 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is QGADQETWTVFCGK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-2-5-11(6-3-8)9(10)4-7-12/h8,10,12H,2-7H2,1H3/b10-9+.
What are the key properties of 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol?
3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 170.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 20637163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).