N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline

C16H25N3 — CID 62558638

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-14-4-2-3-5-16(14)17-8-9-18-10-12-19(13-11-18)15-6-7-15/h2-5,15,17H,6-13H2,1H3
InChIKeyGSNMTRWKMYWMAT-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline

N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline (PubChem CID 62558638) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
PubChem CID62558638
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCN(C2CC2)CC1
InChIInChI=1S/C16H25N3/c1-14-4-2-3-5-16(14)17-8-9-18-10-12-19(13-11-18)15-6-7-15/h2-5,15,17H,6-13H2,1H3
InChIKeyGSNMTRWKMYWMAT-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62775057
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
CID 103540070
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-methylaniline;dihydrochloride
CID 70100793
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
CID 63503063
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2-methylaniline
CID 62557391
2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone
CID 145048899
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline (CID 62558638) is N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCN1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline?
The InChIKey is GSNMTRWKMYWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-4-2-3-5-16(14)17-8-9-18-10-12-19(13-11-18)15-6-7-15/h2-5,15,17H,6-13H2,1H3.
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline?
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline has a molecular weight of 259.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 62558638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).