[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone

C20H25N3O2 — CID 119880014

IUPAC[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c21-14-16-6-8-18(9-7-16)20(25)23-12-10-22(11-13-23)15-19(24)17-4-2-1-3-5-17/h1-9,19,24H,10-15,21H2
InChIKeyIJIXPZXKVSFJGS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.64
Rot. Bonds5

About [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone

[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 119880014) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
PubChem CID119880014
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c21-14-16-6-8-18(9-7-16)20(25)23-12-10-22(11-13-23)15-19(24)17-4-2-1-3-5-17/h1-9,19,24H,10-15,21H2
InChIKeyIJIXPZXKVSFJGS-UHFFFAOYSA-N
XLogP1.64
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 97044997
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596642
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone (CID 119880014) is [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone is NCc1ccc(C(=O)N2CCN(CC(O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is IJIXPZXKVSFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-14-16-6-8-18(9-7-16)20(25)23-12-10-22(11-13-23)15-19(24)17-4-2-1-3-5-17/h1-9,19,24H,10-15,21H2.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone?
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119880014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).