[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride

C18H27ClN2O3 — CID 119765866

IUPAC[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)C3CNCCO3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-16-4-2-14(3-5-16)12-15-6-9-20(10-7-15)18(21)17-13-19-8-11-23-17;/h2-5,15,17,19H,6-13H2,1H3;1H
InChIKeyIRMOOBYZVLRVQX-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.89
Rot. Bonds4

About [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119765866) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119765866
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(CC2CCN(C(=O)C3CNCCO3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-16-4-2-14(3-5-16)12-15-6-9-20(10-7-15)18(21)17-13-19-8-11-23-17;/h2-5,15,17,19H,6-13H2,1H3;1H
InChIKeyIRMOOBYZVLRVQX-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119765845
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51103888

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119765866) is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is COc1ccc(CC2CCN(C(=O)C3CNCCO3)CC2)cc1.Cl.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is IRMOOBYZVLRVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-22-16-4-2-14(3-5-16)12-15-6-9-20(10-7-15)18(21)17-13-19-8-11-23-17;/h2-5,15,17,19H,6-13H2,1H3;1H.
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119765866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).