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

C17H26N2O — CID 83053387

IUPAC[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(CCN)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16-6-3-4-13-19(16)17(20)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-13,18H2,1H3
InChIKeyAVRCDXMPXGNNBN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds5

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

[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 83053387) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID83053387
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(CCN)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16-6-3-4-13-19(16)17(20)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-13,18H2,1H3
InChIKeyAVRCDXMPXGNNBN-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95863375
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone (CID 83053387) is [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccc(CCN)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is AVRCDXMPXGNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-5-16-6-3-4-13-19(16)17(20)15-9-7-14(8-10-15)11-12-18/h7-10,16H,2-6,11-13,18H2,1H3.
What are the key properties of [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone?
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83053387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).