1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone

C14H26N2O3 — CID 79735000

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESNCCCOC1CCN(C(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-6-2-10-18-12-4-7-16(8-5-12)14(17)11-13-3-1-9-19-13/h12-13H,1-11,15H2
InChIKeyRLASLVPHABEODU-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.91
Rot. Bonds6

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 79735000) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID79735000
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESNCCCOC1CCN(C(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-6-2-10-18-12-4-7-16(8-5-12)14(17)11-13-3-1-9-19-13/h12-13H,1-11,15H2
InChIKeyRLASLVPHABEODU-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.91
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

[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
CID 119664585
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119261129
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (CID 79735000) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is NCCCOC1CCN(C(=O)CC2CCCO2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is RLASLVPHABEODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-6-2-10-18-12-4-7-16(8-5-12)14(17)11-13-3-1-9-19-13/h12-13H,1-11,15H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 79735000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).