4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline

C20H35N3 — CID 170863447

IUPAC4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H35N3/c1-4-12-23(13-5-2)20-10-8-19(9-11-20)7-6-14-22-17-15-21(3)16-18-22/h8-11H,4-7,12-18H2,1-3H3
InChIKeyYHMHRXJNBLACHB-UHFFFAOYSA-N
MW317.52 g/mol
LogP3.49
Rot. Bonds9

About 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline

4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline (PubChem CID 170863447) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
PubChem CID170863447
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H35N3/c1-4-12-23(13-5-2)20-10-8-19(9-11-20)7-6-14-22-17-15-21(3)16-18-22/h8-11H,4-7,12-18H2,1-3H3
InChIKeyYHMHRXJNBLACHB-UHFFFAOYSA-N
XLogP3.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline (CID 170863447) is 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline is CCCN(CCC)c1ccc(CCCN2CCN(C)CC2)cc1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline?
The InChIKey is YHMHRXJNBLACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-4-12-23(13-5-2)20-10-8-19(9-11-20)7-6-14-22-17-15-21(3)16-18-22/h8-11H,4-7,12-18H2,1-3H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline?
4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline has a molecular weight of 317.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline is sourced from PubChem (CID 170863447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).