3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol

C11H24N2O2 — CID 115705235

IUPAC3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCOCCN1CCC(NCCCO)CC1
InChIInChI=1S/C11H24N2O2/c1-15-10-8-13-6-3-11(4-7-13)12-5-2-9-14/h11-12,14H,2-10H2,1H3
InChIKeyRELAVPIFMRZSJU-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol

3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 115705235) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID115705235
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCOCCN1CCC(NCCCO)CC1
InChIInChI=1S/C11H24N2O2/c1-15-10-8-13-6-3-11(4-7-13)12-5-2-9-14/h11-12,14H,2-10H2,1H3
InChIKeyRELAVPIFMRZSJU-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
CID 137396264
1-(2-aminoethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 117027502
N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine
CID 115896869
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine
CID 58365048
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol (CID 115705235) is 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol is COCCN1CCC(NCCCO)CC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is RELAVPIFMRZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-15-10-8-13-6-3-11(4-7-13)12-5-2-9-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol?
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 115705235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).