[2-(1-methylpiperidin-4-yl)ethylamino]methanol

C9H20N2O — CID 115229407

IUPAC[2-(1-methylpiperidin-4-yl)ethylamino]methanol
SMILESCN1CCC(CCNCO)CC1
InChIInChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h9-10,12H,2-8H2,1H3
InChIKeyJNEDBOFUCFZVRT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.26
Rot. Bonds4

About [2-(1-methylpiperidin-4-yl)ethylamino]methanol

[2-(1-methylpiperidin-4-yl)ethylamino]methanol (PubChem CID 115229407) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [2-(1-methylpiperidin-4-yl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(1-methylpiperidin-4-yl)ethylamino]methanol
PubChem CID115229407
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[2-(1-methylpiperidin-4-yl)ethylamino]methanol
SMILESCN1CCC(CCNCO)CC1
InChIInChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h9-10,12H,2-8H2,1H3
InChIKeyJNEDBOFUCFZVRT-UHFFFAOYSA-N
XLogP0.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515397
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
N-cyclopentyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515544
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpiperidin-4-yl)ethylamino]methanol?
The IUPAC name of [2-(1-methylpiperidin-4-yl)ethylamino]methanol (CID 115229407) is [2-(1-methylpiperidin-4-yl)ethylamino]methanol.
What is the SMILES notation for [2-(1-methylpiperidin-4-yl)ethylamino]methanol?
The canonical SMILES for [2-(1-methylpiperidin-4-yl)ethylamino]methanol is CN1CCC(CCNCO)CC1.
What is the InChIKey of [2-(1-methylpiperidin-4-yl)ethylamino]methanol?
The InChIKey is JNEDBOFUCFZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h9-10,12H,2-8H2,1H3.
What are the key properties of [2-(1-methylpiperidin-4-yl)ethylamino]methanol?
[2-(1-methylpiperidin-4-yl)ethylamino]methanol has a molecular weight of 172.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpiperidin-4-yl)ethylamino]methanol is sourced from PubChem (CID 115229407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).