(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride

C20H31ClN2O3 — CID 119741426

IUPAC(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-20(10-12-21-13-11-20)19(23)22-14-7-18(8-15-22)25-16-9-17-5-3-2-4-6-17;/h2-6,18,21H,7-16H2,1H3;1H
InChIKeyBEHVBVAFIVJYOU-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.43
Rot. Bonds6

About (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride

(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119741426) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
PubChem CID119741426
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-20(10-12-21-13-11-20)19(23)22-14-7-18(8-15-22)25-16-9-17-5-3-2-4-6-17;/h2-6,18,21H,7-16H2,1H3;1H
InChIKeyBEHVBVAFIVJYOU-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(1-methoxycyclopentyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 166225739
1-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754770
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119806940
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119878673
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-phenylethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119741416
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride (CID 119741426) is (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride is COC1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCNCC1.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is BEHVBVAFIVJYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-24-20(10-12-21-13-11-20)19(23)22-14-7-18(8-15-22)25-16-9-17-5-3-2-4-6-17;/h2-6,18,21H,7-16H2,1H3;1H.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride?
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119741426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).