[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine

C17H27N3O — CID 62425102

IUPAC[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C17H27N3O/c18-12-16-6-7-17(21-16)14-20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2
InChIKeySLPLUEQNTIGCTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.31
Rot. Bonds5

About [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62425102) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62425102
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C17H27N3O/c18-12-16-6-7-17(21-16)14-20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2
InChIKeySLPLUEQNTIGCTE-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine with MolForge

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Related Compounds

[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
CID 62423352
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 62616072
N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide
CID 162358264
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027495
1-benzyl-4-[[(2S,4R)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 127027491
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole
CID 171912123
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
CID 82667511

Frequently Asked Questions

What is the IUPAC name of [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine (CID 62425102) is [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine is NCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is SLPLUEQNTIGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-12-16-6-7-17(21-16)14-20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2.
What are the key properties of [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62425102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).