[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone

C17H26N2O — CID 103495362

IUPAC[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccccc2CCN)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)14-8-11-19(12-9-14)17(20)16-6-4-3-5-15(16)7-10-18/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyHOONARQIYCRNNF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone

[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103495362) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103495362
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccccc2CCN)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)14-8-11-19(12-9-14)17(20)16-6-4-3-5-15(16)7-10-18/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyHOONARQIYCRNNF-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504954

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103495362) is [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccccc2CCN)CC1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is HOONARQIYCRNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)14-8-11-19(12-9-14)17(20)16-6-4-3-5-15(16)7-10-18/h3-6,13-14H,7-12,18H2,1-2H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103495362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).