1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride

C20H33ClN2O — CID 119646554

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-4-21-15-19-9-11-22(12-10-19)20(23)14-18-7-5-17(6-8-18)13-16(2)3;/h5-8,16,19,21H,4,9-15H2,1-3H3;1H
InChIKeyFDIFWNGYWJJNPR-UHFFFAOYSA-N
MW352.95 g/mol
LogP3.70
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride (PubChem CID 119646554) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
PubChem CID119646554
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-4-21-15-19-9-11-22(12-10-19)20(23)14-18-7-5-17(6-8-18)13-16(2)3;/h5-8,16,19,21H,4,9-15H2,1-3H3;1H
InChIKeyFDIFWNGYWJJNPR-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
CID 119645678
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride (CID 119646554) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride is CCNCC1CCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride?
The InChIKey is FDIFWNGYWJJNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-4-21-15-19-9-11-22(12-10-19)20(23)14-18-7-5-17(6-8-18)13-16(2)3;/h5-8,16,19,21H,4,9-15H2,1-3H3;1H.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119646554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).