3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline

C16H25N3O — CID 103134978

IUPAC3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
SMILESCC1CCC(CN2CCN(c3cccc(N)c3)CC2)O1
InChIInChI=1S/C16H25N3O/c1-13-5-6-16(20-13)12-18-7-9-19(10-8-18)15-4-2-3-14(17)11-15/h2-4,11,13,16H,5-10,12,17H2,1H3
InChIKeyMIGRMOQCSLZBEG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds3

About 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline

3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline (PubChem CID 103134978) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
PubChem CID103134978
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
SMILESCC1CCC(CN2CCN(c3cccc(N)c3)CC2)O1
InChIInChI=1S/C16H25N3O/c1-13-5-6-16(20-13)12-18-7-9-19(10-8-18)15-4-2-3-14(17)11-15/h2-4,11,13,16H,5-10,12,17H2,1H3
InChIKeyMIGRMOQCSLZBEG-UHFFFAOYSA-N
XLogP1.96
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
CID 61484816
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]aniline
CID 115942867

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline?
The IUPAC name of 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline (CID 103134978) is 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline is CC1CCC(CN2CCN(c3cccc(N)c3)CC2)O1.
What is the InChIKey of 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline?
The InChIKey is MIGRMOQCSLZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-5-6-16(20-13)12-18-7-9-19(10-8-18)15-4-2-3-14(17)11-15/h2-4,11,13,16H,5-10,12,17H2,1H3.
What are the key properties of 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline?
3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline has a molecular weight of 275.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline is sourced from PubChem (CID 103134978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).