4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C18H30N4 — CID 112721063

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(NCC3CCCN3C)cc2)CC1
InChIInChI=1S/C18H30N4/c1-20-10-12-22(13-11-20)15-16-5-7-17(8-6-16)19-14-18-4-3-9-21(18)2/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyTZJJQBKFBXNXBV-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.94
Rot. Bonds5

About 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 112721063) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID112721063
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN1CCN(Cc2ccc(NCC3CCCN3C)cc2)CC1
InChIInChI=1S/C18H30N4/c1-20-10-12-22(13-11-20)15-16-5-7-17(8-6-16)19-14-18-4-3-9-21(18)2/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyTZJJQBKFBXNXBV-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
N-(2-ethylbutyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721076
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721153

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 112721063) is 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CN1CCN(Cc2ccc(NCC3CCCN3C)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is TZJJQBKFBXNXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-20-10-12-22(13-11-20)15-16-5-7-17(8-6-16)19-14-18-4-3-9-21(18)2/h5-8,18-19H,3-4,9-15H2,1-2H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 302.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 112721063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).