2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine

C16H24ClN3O — CID 43118112

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2
InChIKeyVUXKONZSZBLQTM-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine

2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine (PubChem CID 43118112) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
PubChem CID43118112
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2
InChIKeyVUXKONZSZBLQTM-UHFFFAOYSA-N
XLogP1.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(morpholin-4-yl)ethyl]aniline
CID 28581421
N-(2-chlorophenyl)-3-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 26392361
[(3S)-1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
CID 95144531
N-(2-chlorophenyl)-3-fluorooxan-4-amine
CID 173638445
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
CID 18071191
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43150447
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine
CID 60917802
2-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62387125
2-chloro-4-fluoro-N-(oxan-3-ylmethyl)aniline
CID 63738590
1-(2-Chloro-4-fluorophenyl)-4-(oxolan-3-ylmethyl)piperazine
CID 84590653
1-(2-chloro-4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 97245082
1-(2-chloro-4-fluorophenyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 97245083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine (CID 43118112) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine is NCC(C1CCOC1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
The InChIKey is VUXKONZSZBLQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-4,13,16H,5-12,18H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine?
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine has a molecular weight of 309.84 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 43118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).