[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride

C17H27Cl2N3O3 — CID 120937664

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCOCC1
InChIInChI=1S/C17H25N3O3.2ClH/c18-13-17(5-11-23-12-6-17)16(22)20-9-7-19(8-10-20)14-1-3-15(21)4-2-14;;/h1-4,21H,5-13,18H2;2*1H
InChIKeyAYWYWTFMNJYMSC-UHFFFAOYSA-N
MW392.33 g/mol
LogP1.64
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride

[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120937664) has the molecular formula C17H27Cl2N3O3 and a molecular weight of 392.33 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID120937664
Molecular FormulaC17H27Cl2N3O3
Molecular Weight392.33 g/mol
Exact Mass391.14
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCOCC1
InChIInChI=1S/C17H25N3O3.2ClH/c18-13-17(5-11-23-12-6-17)16(22)20-9-7-19(8-10-20)14-1-3-15(21)4-2-14;;/h1-4,21H,5-13,18H2;2*1H
InChIKeyAYWYWTFMNJYMSC-UHFFFAOYSA-N
XLogP1.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 115452712
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 120922370
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120930299
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride (CID 120937664) is [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is AYWYWTFMNJYMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.2ClH/c18-13-17(5-11-23-12-6-17)16(22)20-9-7-19(8-10-20)14-1-3-15(21)4-2-14;;/h1-4,21H,5-13,18H2;2*1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120937664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).