4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine

C17H27N3O — CID 66265682

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-18-17-14-21-13-16(17)12-20-9-7-19(8-10-20)11-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3
InChIKeySLUNHGKSIFHLJL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.04
Rot. Bonds5

About 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine

4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 66265682) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
PubChem CID66265682
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-18-17-14-21-13-16(17)12-20-9-7-19(8-10-20)11-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3
InChIKeySLUNHGKSIFHLJL-UHFFFAOYSA-N
XLogP1.04
TPSA27.74 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 62616072
N-methyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 66245775
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
CID 66246160
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-tert-butylpiperazine
CID 3591937
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine (CID 66265682) is 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine is CNC1COCC1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is SLUNHGKSIFHLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-17-14-21-13-16(17)12-20-9-7-19(8-10-20)11-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine?
4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 289.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66265682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).