1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride

C19H31ClN2O2 — CID 119927768

IUPAC1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
SMILESCCNCC1CCN(Cc2cc(C(C)=O)ccc2OCC)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-20-13-16-8-10-21(11-9-16)14-18-12-17(15(3)22)6-7-19(18)23-5-2;/h6-7,12,16,20H,4-5,8-11,13-14H2,1-3H3;1H
InChIKeyUKTASWHSTMKZNM-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.53
Rot. Bonds8

About 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride

1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride (PubChem CID 119927768) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
PubChem CID119927768
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
SMILESCCNCC1CCN(Cc2cc(C(C)=O)ccc2OCC)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-20-13-16-8-10-21(11-9-16)14-18-12-17(15(3)22)6-7-19(18)23-5-2;/h6-7,12,16,20H,4-5,8-11,13-14H2,1-3H3;1H
InChIKeyUKTASWHSTMKZNM-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-[(5-acetyl-2-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903837
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-ethoxyphenyl]ethanone;hydrochloride
CID 119927271
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone
CID 112769273
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride (CID 119927768) is 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride is CCNCC1CCN(Cc2cc(C(C)=O)ccc2OCC)CC1.Cl.
What is the InChIKey of 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The InChIKey is UKTASWHSTMKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-4-20-13-16-8-10-21(11-9-16)14-18-12-17(15(3)22)6-7-19(18)23-5-2;/h6-7,12,16,20H,4-5,8-11,13-14H2,1-3H3;1H.
What are the key properties of 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119927768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).