3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine

C13H28N2O2 — CID 79736553

IUPAC3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
SMILESCCOCCCN1CCC(OCCCN)CC1
InChIInChI=1S/C13H28N2O2/c1-2-16-11-4-8-15-9-5-13(6-10-15)17-12-3-7-14/h13H,2-12,14H2,1H3
InChIKeyNKVHFXWHPKGOJV-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds9

About 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79736553) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79736553
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
SMILESCCOCCCN1CCC(OCCCN)CC1
InChIInChI=1S/C13H28N2O2/c1-2-16-11-4-8-15-9-5-13(6-10-15)17-12-3-7-14/h13H,2-12,14H2,1H3
InChIKeyNKVHFXWHPKGOJV-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
CID 79736085
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
(4-butoxypiperidin-1-yl)methanamine
CID 142616316

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine (CID 79736553) is 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine is CCOCCCN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is NKVHFXWHPKGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-2-16-11-4-8-15-9-5-13(6-10-15)17-12-3-7-14/h13H,2-12,14H2,1H3.
What are the key properties of 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79736553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).