[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

C19H24N2O — CID 119645989

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCCNCC1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-2-20-14-15-10-12-21(13-11-15)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,20H,2,10-14H2,1H3
InChIKeyJNHVTGJCWOOUFI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.30
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 119645989) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID119645989
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCCNCC1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-2-20-14-15-10-12-21(13-11-15)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,20H,2,10-14H2,1H3
InChIKeyJNHVTGJCWOOUFI-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (CID 119645989) is [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is CCNCC1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is JNHVTGJCWOOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-20-14-15-10-12-21(13-11-15)19(22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,20H,2,10-14H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 119645989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).