N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine

C14H28N2O — CID 62214311

IUPACN-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
SMILESC1CCC(CCCNCCC2CCCO2)NC1
InChIInChI=1S/C14H28N2O/c1-2-10-16-13(5-1)6-3-9-15-11-8-14-7-4-12-17-14/h13-16H,1-12H2
InChIKeyYUFWGTPSFAPPIA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine

N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine (PubChem CID 62214311) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
PubChem CID62214311
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
SMILESC1CCC(CCCNCCC2CCCO2)NC1
InChIInChI=1S/C14H28N2O/c1-2-10-16-13(5-1)6-3-9-15-11-8-14-7-4-12-17-14/h13-16H,1-12H2
InChIKeyYUFWGTPSFAPPIA-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
CID 116563772
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
3-(oxan-2-yl)-N-(2-piperidin-2-ylethyl)propanamide
CID 63952925
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine (CID 62214311) is N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine is C1CCC(CCCNCCC2CCCO2)NC1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine?
The InChIKey is YUFWGTPSFAPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-10-16-13(5-1)6-3-9-15-11-8-14-7-4-12-17-14/h13-16H,1-12H2.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine?
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine is sourced from PubChem (CID 62214311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).