[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride

C17H25Cl2N3O2 — CID 120937747

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1
InChIInChI=1S/C17H24ClN3O2.ClH/c18-14-2-1-3-15(12-14)20-6-8-21(9-7-20)16(22)17(13-19)4-10-23-11-5-17;/h1-3,12H,4-11,13,19H2;1H
InChIKeyWJFKRJBHFJZYLN-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.17
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120937747) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120937747
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1
InChIInChI=1S/C17H24ClN3O2.ClH/c18-14-2-1-3-15(12-14)20-6-8-21(9-7-20)16(22)17(13-19)4-10-23-11-5-17;/h1-3,12H,4-11,13,19H2;1H
InChIKeyWJFKRJBHFJZYLN-UHFFFAOYSA-N
XLogP2.17
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 115452712
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799779
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 78994262
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120937747) is [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride is Cl.NCC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WJFKRJBHFJZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c18-14-2-1-3-15(12-14)20-6-8-21(9-7-20)16(22)17(13-19)4-10-23-11-5-17;/h1-3,12H,4-11,13,19H2;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120937747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).