(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C22H28N2O — CID 119646387

IUPAC(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-2-23-17-19-12-14-24(15-13-19)22(25)21-11-7-6-10-20(21)16-18-8-4-3-5-9-18/h3-11,19,23H,2,12-17H2,1H3
InChIKeyADXYSKBZUCTWJC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.74
Rot. Bonds6

About (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119646387) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119646387
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-2-23-17-19-12-14-24(15-13-19)22(25)21-11-7-6-10-20(21)16-18-8-4-3-5-9-18/h3-11,19,23H,2,12-17H2,1H3
InChIKeyADXYSKBZUCTWJC-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119646387) is (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ADXYSKBZUCTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-23-17-19-12-14-24(15-13-19)22(25)21-11-7-6-10-20(21)16-18-8-4-3-5-9-18/h3-11,19,23H,2,12-17H2,1H3.
What are the key properties of (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119646387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).