[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C17H27N3O — CID 62264134

IUPAC[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1
InChIInChI=1S/C17H27N3O/c18-13-17(6-11-21-15-17)14-20-9-7-19(8-10-20)12-16-4-2-1-3-5-16/h1-5H,6-15,18H2
InChIKeyUTMVAYHDJPEZLE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.17
Rot. Bonds5

About [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62264134) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62264134
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1
InChIInChI=1S/C17H27N3O/c18-13-17(6-11-21-15-17)14-20-9-7-19(8-10-20)12-16-4-2-1-3-5-16/h1-5H,6-15,18H2
InChIKeyUTMVAYHDJPEZLE-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
CID 62263069
[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methanamine
CID 62263515
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55116578
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
[3-[(3,3,4-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55217570
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263578
[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 114933501
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976536

Frequently Asked Questions

What is the IUPAC name of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 62264134) is [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is NCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1.
What is the InChIKey of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is UTMVAYHDJPEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-13-17(6-11-21-15-17)14-20-9-7-19(8-10-20)12-16-4-2-1-3-5-16/h1-5H,6-15,18H2.
What are the key properties of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62264134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).