methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane

C19H44N4 — CID 156885712

IUPACmethane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
SMILESC.CCC.CCCN1CCN(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4.C3H8.CH4/c1-3-5-17-12-14-19(15-13-17)7-4-6-18-10-8-16(2)9-11-18;1-3-2;/h3-15H2,1-2H3;3H2,1-2H3;1H4
InChIKeyGNDDPMXDHXHEGT-UHFFFAOYSA-N
MW328.59 g/mol
LogP2.70
Rot. Bonds6

About methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane

methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane (PubChem CID 156885712) has the molecular formula C19H44N4 and a molecular weight of 328.59 g/mol. Its IUPAC name is methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane.

Molecular Properties

Compound Namemethane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
PubChem CID156885712
Molecular FormulaC19H44N4
Molecular Weight328.59 g/mol
Exact Mass328.36
IUPAC Namemethane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
SMILESC.CCC.CCCN1CCN(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4.C3H8.CH4/c1-3-5-17-12-14-19(15-13-17)7-4-6-18-10-8-16(2)9-11-18;1-3-2;/h3-15H2,1-2H3;3H2,1-2H3;1H4
InChIKeyGNDDPMXDHXHEGT-UHFFFAOYSA-N
XLogP2.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-4-pentylpiperazine
CID 145099418
acetylene;1-methyl-4-octylpiperazine
CID 144712197
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1,4-dimethyl-8,11-dipropyl-1,4,8,11-tetrazacyclotetradecane;nickel(2+);diperchlorate
CID 15774197
1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane
CID 22955612
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-octylaziridine
CID 544653
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane?
The IUPAC name of methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane (CID 156885712) is methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane.
What is the SMILES notation for methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane?
The canonical SMILES for methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane is C.CCC.CCCN1CCN(CCCN2CCN(C)CC2)CC1.
What is the InChIKey of methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane?
The InChIKey is GNDDPMXDHXHEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.C3H8.CH4/c1-3-5-17-12-14-19(15-13-17)7-4-6-18-10-8-16(2)9-11-18;1-3-2;/h3-15H2,1-2H3;3H2,1-2H3;1H4.
What are the key properties of methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane?
methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane has a molecular weight of 328.59 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane is sourced from PubChem (CID 156885712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).