4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline

C20H25N3 — CID 155109173

IUPAC4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
SMILESNc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C20H25N3/c21-19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-22-11-13-23(14-12-22)20-9-10-20/h1-8,20H,9-15,21H2
InChIKeyRCARBDZYEHIHSA-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.22
Rot. Bonds4

About 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline (PubChem CID 155109173) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
PubChem CID155109173
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
SMILESNc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C20H25N3/c21-19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-22-11-13-23(14-12-22)20-9-10-20/h1-8,20H,9-15,21H2
InChIKeyRCARBDZYEHIHSA-UHFFFAOYSA-N
XLogP3.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
CID 61440083
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
1-benzyl-4-cyclopropylpiperazine
CID 69195043
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438353
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 154528244
3-[(4-cyclopropylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646026
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)aniline
CID 63149912
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-fluoroaniline
CID 64768462
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline?
The IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline (CID 155109173) is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline.
What is the SMILES notation for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline?
The canonical SMILES for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline is Nc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline?
The InChIKey is RCARBDZYEHIHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c21-19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-22-11-13-23(14-12-22)20-9-10-20/h1-8,20H,9-15,21H2.
What are the key properties of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline?
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline has a molecular weight of 307.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline is sourced from PubChem (CID 155109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).