N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine

C14H28N2O — CID 81043624

IUPACN-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCNCC1CCCO1)C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h12-16H,2-11H2,1H3
InChIKeyWUPPEOAZTRXFPB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine

N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine (PubChem CID 81043624) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
PubChem CID81043624
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCNCC1CCCO1)C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h12-16H,2-11H2,1H3
InChIKeyWUPPEOAZTRXFPB-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
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-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045958
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
N-[3-(oxolan-2-ylmethoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119693933
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
3-[1-fluoro-4-(oxolan-2-yl)butyl]piperidine
CID 112565298
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
3-pentan-2-ylazepane
CID 107889859

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine (CID 81043624) is N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine is CC(CCNCC1CCCO1)C1CCCNC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine?
The InChIKey is WUPPEOAZTRXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h12-16H,2-11H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine?
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81043624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).