[2-(methylamino)ethylamino]-piperidin-4-ylmethanol

C9H21N3O — CID 155259235

IUPAC[2-(methylamino)ethylamino]-piperidin-4-ylmethanol
SMILESCNCCNC(O)C1CCNCC1
InChIInChI=1S/C9H21N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8-13H,2-7H2,1H3
InChIKeyCOXLJIJQTQNGLH-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.89
Rot. Bonds5

About [2-(methylamino)ethylamino]-piperidin-4-ylmethanol

[2-(methylamino)ethylamino]-piperidin-4-ylmethanol (PubChem CID 155259235) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is [2-(methylamino)ethylamino]-piperidin-4-ylmethanol.

Molecular Properties

Compound Name[2-(methylamino)ethylamino]-piperidin-4-ylmethanol
PubChem CID155259235
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name[2-(methylamino)ethylamino]-piperidin-4-ylmethanol
SMILESCNCCNC(O)C1CCNCC1
InChIInChI=1S/C9H21N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8-13H,2-7H2,1H3
InChIKeyCOXLJIJQTQNGLH-UHFFFAOYSA-N
XLogP-0.89
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(methylamino)ethylamino]-piperidin-4-ylmethanol 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

N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-methyl-2-piperidin-4-ylpropan-1-amine
CID 84650476
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
1-piperidin-4-ylpentan-1-ol
CID 19599407
3-(methylamino)-3-piperidin-4-ylpropan-1-ol
CID 71647995
3-piperidin-4-ylbutan-2-ol
CID 154192279
(1S)-1-cyclopropyl-3-(methylamino)propan-1-ol
CID 129371678
1-piperidin-4-ylundecan-1-ol
CID 80560155
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
CID 171641847

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)ethylamino]-piperidin-4-ylmethanol?
The IUPAC name of [2-(methylamino)ethylamino]-piperidin-4-ylmethanol (CID 155259235) is [2-(methylamino)ethylamino]-piperidin-4-ylmethanol.
What is the SMILES notation for [2-(methylamino)ethylamino]-piperidin-4-ylmethanol?
The canonical SMILES for [2-(methylamino)ethylamino]-piperidin-4-ylmethanol is CNCCNC(O)C1CCNCC1.
What is the InChIKey of [2-(methylamino)ethylamino]-piperidin-4-ylmethanol?
The InChIKey is COXLJIJQTQNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8-13H,2-7H2,1H3.
What are the key properties of [2-(methylamino)ethylamino]-piperidin-4-ylmethanol?
[2-(methylamino)ethylamino]-piperidin-4-ylmethanol has a molecular weight of 187.29 g/mol, XLogP of -0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)ethylamino]-piperidin-4-ylmethanol is sourced from PubChem (CID 155259235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).