[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H26Cl2N2O2 — CID 119563572

IUPAC[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1.Cl
InChIInChI=1S/C18H25ClN2O2.ClH/c1-20-16-5-9-21(10-6-16)17(22)18(7-11-23-12-8-18)14-3-2-4-15(19)13-14;/h2-4,13,16,20H,5-12H2,1H3;1H
InChIKeyJUZCKOJUJRYGFA-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.02
Rot. Bonds3

About [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119563572) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119563572
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1.Cl
InChIInChI=1S/C18H25ClN2O2.ClH/c1-20-16-5-9-21(10-6-16)17(22)18(7-11-23-12-8-18)14-3-2-4-15(19)13-14;/h2-4,13,16,20H,5-12H2,1H3;1H
InChIKeyJUZCKOJUJRYGFA-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(3-chlorophenyl)oxan-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638947
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343
[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604
2-[4-[4-(3-chlorophenyl)oxane-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890820
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119563572) is [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1.Cl.
What is the InChIKey of [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is JUZCKOJUJRYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c1-20-16-5-9-21(10-6-16)17(22)18(7-11-23-12-8-18)14-3-2-4-15(19)13-14;/h2-4,13,16,20H,5-12H2,1H3;1H.
What are the key properties of [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 373.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119563572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).