[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone

C16H28N2O3 — CID 167900250

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone
SMILESNCCC1CCN(C(=O)C2CCC(C3CCCO3)O2)CC1
InChIInChI=1S/C16H28N2O3/c17-8-5-12-6-9-18(10-7-12)16(19)15-4-3-14(21-15)13-2-1-11-20-13/h12-15H,1-11,17H2
InChIKeySZKTXOYSKHNMLN-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds4

About [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone

[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone (PubChem CID 167900250) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone
PubChem CID167900250
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone
SMILESNCCC1CCN(C(=O)C2CCC(C3CCCO3)O2)CC1
InChIInChI=1S/C16H28N2O3/c17-8-5-12-6-9-18(10-7-12)16(19)15-4-3-14(21-15)13-2-1-11-20-13/h12-15H,1-11,17H2
InChIKeySZKTXOYSKHNMLN-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone with MolForge

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Related Compounds

5-(oxolan-2-yl)oxolane-2-carboxylic acid
CID 71756387
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 168813787
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
CID 96839564
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
CID 95346669
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone (CID 167900250) is [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone is NCCC1CCN(C(=O)C2CCC(C3CCCO3)O2)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone?
The InChIKey is SZKTXOYSKHNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c17-8-5-12-6-9-18(10-7-12)16(19)15-4-3-14(21-15)13-2-1-11-20-13/h12-15H,1-11,17H2.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone?
[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone has a molecular weight of 296.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone is sourced from PubChem (CID 167900250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).