N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline

C18H30N4 — CID 83977914

IUPACN,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
SMILESCN(C)c1ccc(C(CN2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H30N4/c1-20(2)17-7-5-16(6-8-17)18(15-21-11-3-4-12-21)22-13-9-19-10-14-22/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyJHXLVNUTWNBYON-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.79
Rot. Bonds5

About N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline

N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline (PubChem CID 83977914) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
PubChem CID83977914
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
SMILESCN(C)c1ccc(C(CN2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H30N4/c1-20(2)17-7-5-16(6-8-17)18(15-21-11-3-4-12-21)22-13-9-19-10-14-22/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyJHXLVNUTWNBYON-UHFFFAOYSA-N
XLogP1.79
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
1-[1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 112540179
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 82215482
4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
4-[(4-ethylphenyl)-piperazin-1-ylmethyl]-N,N-dimethylaniline
CID 3902289
4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978634
4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
CID 82201882
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline (CID 83977914) is N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline is CN(C)c1ccc(C(CN2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is JHXLVNUTWNBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-20(2)17-7-5-16(6-8-17)18(15-21-11-3-4-12-21)22-13-9-19-10-14-22/h5-8,18-19H,3-4,9-15H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline?
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 302.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 83977914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).