2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

C18H30N2 — CID 43308056

IUPAC2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2cccc(C)c2C)C1
InChIInChI=1S/C18H30N2/c1-5-11-20-12-7-9-17(13-20)16(4)19-18-10-6-8-14(2)15(18)3/h6,8,10,16-17,19H,5,7,9,11-13H2,1-4H3
InChIKeyCEAYKQCEUWHWEG-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.23
Rot. Bonds5

About 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308056) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID43308056
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2cccc(C)c2C)C1
InChIInChI=1S/C18H30N2/c1-5-11-20-12-7-9-17(13-20)16(4)19-18-10-6-8-14(2)15(18)3/h6,8,10,16-17,19H,5,7,9,11-13H2,1-4H3
InChIKeyCEAYKQCEUWHWEG-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 63329410
2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 104722437
6-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-2-amine
CID 116812757
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 65484329
5-bromo-2,4-difluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 102852683
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 43308056) is 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2cccc(C)c2C)C1.
What is the InChIKey of 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is CEAYKQCEUWHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-11-20-12-7-9-17(13-20)16(4)19-18-10-6-8-14(2)15(18)3/h6,8,10,16-17,19H,5,7,9,11-13H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).