2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

C19H28ClN3O2 — CID 120801130

IUPAC2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC(c1ccc(Cl)cc1)N1CCN(C(=O)C(N)C2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(15-2-4-17(20)5-3-15)22-8-10-23(11-9-22)19(24)18(21)16-6-12-25-13-7-16/h2-5,14,16,18H,6-13,21H2,1H3
InChIKeyBFHYZXYHHDVIKD-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120801130) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120801130
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC(c1ccc(Cl)cc1)N1CCN(C(=O)C(N)C2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(15-2-4-17(20)5-3-15)22-8-10-23(11-9-22)19(24)18(21)16-6-12-25-13-7-16/h2-5,14,16,18H,6-13,21H2,1H3
InChIKeyBFHYZXYHHDVIKD-UHFFFAOYSA-N
XLogP2.30
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 75389640
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797093
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798570
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 120799696
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
2-amino-1-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120801303
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
2-amino-1-(4-benzyl-1,4-diazepan-1-yl)-2-(oxan-4-yl)ethanone
CID 120782467

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120801130) is 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is CC(c1ccc(Cl)cc1)N1CCN(C(=O)C(N)C2CCOCC2)CC1.
What is the InChIKey of 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is BFHYZXYHHDVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14(15-2-4-17(20)5-3-15)22-8-10-23(11-9-22)19(24)18(21)16-6-12-25-13-7-16/h2-5,14,16,18H,6-13,21H2,1H3.
What are the key properties of 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 365.91 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120801130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).