4-[(3-methoxypropylamino)methyl]piperidin-4-ol

C10H22N2O2 — CID 95438424

IUPAC4-[(3-methoxypropylamino)methyl]piperidin-4-ol
SMILESCOCCCNCC1(O)CCNCC1
InChIInChI=1S/C10H22N2O2/c1-14-8-2-5-12-9-10(13)3-6-11-7-4-10/h11-13H,2-9H2,1H3
InChIKeyUHXTXGQSDQVUEJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.27
Rot. Bonds6

About 4-[(3-methoxypropylamino)methyl]piperidin-4-ol

4-[(3-methoxypropylamino)methyl]piperidin-4-ol (PubChem CID 95438424) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(3-methoxypropylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3-methoxypropylamino)methyl]piperidin-4-ol
PubChem CID95438424
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-[(3-methoxypropylamino)methyl]piperidin-4-ol
SMILESCOCCCNCC1(O)CCNCC1
InChIInChI=1S/C10H22N2O2/c1-14-8-2-5-12-9-10(13)3-6-11-7-4-10/h11-13H,2-9H2,1H3
InChIKeyUHXTXGQSDQVUEJ-UHFFFAOYSA-N
XLogP-0.27
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 65120955
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
4-[3-(methylamino)propyl]piperidin-4-ol
CID 145279418
1-[(2-methoxyethylamino)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62774535

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3-methoxypropylamino)methyl]piperidin-4-ol (CID 95438424) is 4-[(3-methoxypropylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3-methoxypropylamino)methyl]piperidin-4-ol is COCCCNCC1(O)CCNCC1.
What is the InChIKey of 4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
The InChIKey is UHXTXGQSDQVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-14-8-2-5-12-9-10(13)3-6-11-7-4-10/h11-13H,2-9H2,1H3.
What are the key properties of 4-[(3-methoxypropylamino)methyl]piperidin-4-ol?
4-[(3-methoxypropylamino)methyl]piperidin-4-ol has a molecular weight of 202.30 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypropylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 95438424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).