1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one

C20H32N2O — CID 119644558

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
SMILESCCNCC1CCN(C(=O)CC(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H32N2O/c1-4-18(19-8-6-16(3)7-9-19)14-20(23)22-12-10-17(11-13-22)15-21-5-2/h6-9,17-18,21H,4-5,10-15H2,1-3H3
InChIKeyNNVGSMRNIGMWRC-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.73
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one (PubChem CID 119644558) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
PubChem CID119644558
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
SMILESCCNCC1CCN(C(=O)CC(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H32N2O/c1-4-18(19-8-6-16(3)7-9-19)14-20(23)22-12-10-17(11-13-22)15-21-5-2/h6-9,17-18,21H,4-5,10-15H2,1-3H3
InChIKeyNNVGSMRNIGMWRC-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119517112
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119646425
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119488071
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 119645010
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
CID 120684265
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
CID 146106718

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one (CID 119644558) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one is CCNCC1CCN(C(=O)CC(CC)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
The InChIKey is NNVGSMRNIGMWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-4-18(19-8-6-16(3)7-9-19)14-20(23)22-12-10-17(11-13-22)15-21-5-2/h6-9,17-18,21H,4-5,10-15H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one has a molecular weight of 316.49 g/mol, XLogP of 3.73, 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]-3-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 119644558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).